SCHEMBL1997566

SCHEMBL1997566

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
OPRK1 P41145 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KCNK3 O14649 1/20 0.38
PDE4D Q08499 1/20 0.38
RPA1 P27694 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL2001696 0.81 PTGS2 (0.54)
SCHEMBL1996485 0.81 ALDH1A1 (0.49) ALDH1A1HTTMAPTLMNANPC1
Pivalate SCHEMBL27729468 0.72 PTGS2 (0.54)
SCHEMBL28387259 0.72 PTGS2 (0.60)
SCHEMBL28400665 0.70 LMNA (0.65) ALDH1A1HTTMAPTLMNANPC1
SCHEMBL5643343 0.70 F10 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2000258 0.70 F10 (0.38)
SCHEMBL9207296 0.69 PTGS2 (0.59) RPA1
SCHEMBL20027952 0.68 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2GAARECQL
SCHEMBL7056604 0.68 ALDH1A1 (0.54) ALDH1A1HTTMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US 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-8188120-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 US disclosed
US-7005435-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-02-28 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-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 3371/4885HTT 4810/4885MAPT 4680/4885
US-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885HTT 4810/4885MAPT 4680/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885HTT 4802/4885MAPT 4664/4885
US-20050261287-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 ALDH1A1 3371/4885HTT 4810/4885MAPT 4680/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 ALDH1A1 3520/4885HTT 4824/4885MAPT 4597/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885HTT 4810/4885MAPT 4680/4885
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885HTT 4810/4885MAPT 4680/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 ALDH1A1 3406/4885HTT 4802/4885MAPT 4664/4885
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 2797/4885HTT 4632/4885MAPT 4153/4885
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 ALDH1A1 3371/4885HTT 4810/4885MAPT 4680/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885HTT 4802/4885MAPT 4664/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885HTT 4802/4885MAPT 4664/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 ALDH1A1 2453/4885HTT 4664/4885MAPT 4569/4885

“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.