SCHEMBL9881663

SCHEMBL9881663

CN1Cc2nc[nH]c2C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.33
GDA Q9Y2T3 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
ADORA2A P29274 3/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CD O00329 1/20 0.31
ALPL P05186 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL9881681 0.77 CRBN (0.39) ATICGDAATAD2ADORA2APDE4A
SCHEMBL5752172 0.67
SCHEMBL8310396 0.64 ATIC (0.33) ATICGDA
SCHEMBL8343167 0.64 MAP2K1 (0.43) ATICGDAPDE4BALDH1A1CYP2C19
SCHEMBL8310812 0.64 ATIC (0.35) ATICGDAALDH1A1
SCHEMBL9881675 0.62 CRBN (0.42) ATICGDAATAD2MEN1KMT2A
SCHEMBL8309980 0.62 MAP2K1 (0.37) ATICGDAALDH1A1CYP2C19MEN1
SCHEMBL8310124 0.62 GDA (0.36) ATICGDAALDH1A1
SCHEMBL6689752 0.62
SCHEMBL6674432 0.61 GDA (0.38) ATICGDAATAD2ADORA2APDE4A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7960411-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 US disclosed
US-7691846-B2 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-06 US disclosed
US-20090176758-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-09 US disclosed
US-7531535-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-7371761-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 US disclosed
US-20080090807-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 (US) 2008-04-17 US disclosed
US-7338963-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (9 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-20120201816-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 924/4885GDA 3909/4885ATAD2 2657/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 1022/4885GDA 3879/4885ATAD2 2656/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 924/4885GDA 3909/4885ATAD2 2657/4885
US-20110212930-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 924/4885GDA 3909/4885ATAD2 2657/4885
US-20090176758-A1 blood coagulation factor (trypsin-like serine protease enzymes) inhibitor; 1-(3-amino-1,2-benzisoxazol-5-yl)-5-{[5-(2-oxo-1-piperidinyl)-2,3-dihydro-1H-indol-1-yl]carbonyl}-1H-pyrazole-3-carboxamide; anticoagulant; cardiovascular thromboembolic disorder transient ischemic attack, stroke, atherosclerosis F2, PLAT, TFPI ATIC 1749/4885GDA 4589/4885ATAD2 2766/4885
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 924/4885GDA 3909/4885ATAD2 2657/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 1022/4885GDA 3879/4885ATAD2 2656/4885
US-20080090807-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, TFPI, SPINT2 ATIC 1553/4885GDA 4609/4885ATAD2 3359/4885
US-20070135426-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ATIC 1022/4885GDA 3879/4885ATAD2 2656/4885

“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.