Sugi Predict

Sugi Predict / Compounds / SCHEMBL1996485

SCHEMBL1996485

SCHEMBL1996485

COc1ccc(-n2nc(C#N)cc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ RPA1 P27694 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22897171 0.84 ALDH1A1 (0.56) ALDH1A1RPA1MAPTGAAGRN
SCHEMBL1997566 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHTTRPA1NPC1
SCHEMBL32690329 0.81 HTT (0.57) ALDH1A1LMNAHTTRPA1NPC1
SCHEMBL1873948 0.81 LMNA (0.59) ALDH1A1LMNAHTTRPA1TP53
SCHEMBL6173361 0.81 RPA1 (0.67) ALDH1A1LMNAHTTRPA1TP53
SCHEMBL18277669 0.78 GRN (0.72) ALDH1A1LMNAHTTRPA1TP53
SCHEMBL6173415 0.78 RPA1 (0.49) ALDH1A1LMNAHTTRPA1MAPT
SCHEMBL6493037 0.78 RPA1 (0.55) ALDH1A1LMNAHTTRPA1MAPT
SCHEMBL6174582 0.78 RPA1 (0.52) ALDH1A1LMNAHTTRPA1MAPT
SCHEMBL32690239 0.77 CYP11B1 (0.54) ALDH1A1LMNAHTTRPA1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US claimed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 — — CN disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 — — US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 — — US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 — — US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 — — US disclosed
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 — — US disclosed
US-8470854-B2 Lactam-containing compounds and derivatives thereof as factor XA inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-06-25 — — US disclosed
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 — — US disclosed
US-6995172-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-02-07 — — US disclosed
US-6989391-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS-SQUIBB PHARMA COMPANY (US) 2006-01-24 — — US disclosed
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 — — US disclosed
US-6967208-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-22 — — US disclosed
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 — — US disclosed
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 — — US disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US disclosed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 — — US disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885LMNA 881/4885HTT 4810/4885
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885LMNA 881/4885HTT 4810/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885LMNA 925/4885HTT 4802/4885
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 ALDH1A1 3371/4885LMNA 881/4885HTT 4810/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 ALDH1A1 3520/4885LMNA 951/4885HTT 4824/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT ALDH1A1 2197/4885LMNA 579/4885HTT 1206/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885LMNA 881/4885HTT 4810/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 ALDH1A1 3406/4885LMNA 925/4885HTT 4802/4885
US-20050267097-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 3-(4-methoxy-phenyl)-5-[4-(2-oxo-2H-pyridin-1-yl)-phenyl]-3,5,6,7-tetrahydro-[1,2,3]triazolo4,5-c]pyridin-4-one; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis PLAT, F2, TFPI ALDH1A1 2797/4885LMNA 1130/4885HTT 4632/4885
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 ALDH1A1 3371/4885LMNA 881/4885HTT 4810/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885LMNA 925/4885HTT 4802/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885LMNA 925/4885HTT 4802/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 ALDH1A1 2453/4885LMNA 943/4885HTT 4664/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.