SCHEMBL1997436

SCHEMBL1997436

COc1ccc(-n2nc(C)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.75
F2 P00734 4/20 0.75
PDE4A P27815 3/20 0.75
PDE4B Q07343 3/20 0.75
PDE4C Q08493 3/20 0.75
PDE4D Q08499 3/20 0.75
SLC29A1 Q99808 1/20 0.75

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
SCHEMBL28382402 0.89 F10 (0.78) F10F2PDE4APDE4BPDE4C
SCHEMBL1999897 0.88 F10 (0.74) F10F2PDE4APDE4BPDE4C
SCHEMBL19674911 0.88 F10 (0.72) F10F2PDE4APDE4BPDE4C
SCHEMBL18365276 0.88 F10 (0.85) F10F2PDE4APDE4BPDE4C
SCHEMBL14629585 0.87 F10 (0.74) F10F2PDE4APDE4BPDE4C
SCHEMBL15490610 0.87 PDE4A (0.76) F10F2PDE4APDE4BPDE4C
SCHEMBL5445803 0.87 F10 (0.84) F10F2SLC29A1
SCHEMBL23777828 0.86 F10 (0.82) F10F2SLC29A1
SCHEMBL17507083 0.86 F10 (0.82) F10F2SLC29A1
Apixaban SCHEMBL118023 0.86 F10 (1.00) F10F2SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2105436-A1 Lactam-containing compounds and derivatives thereof as factor XA inhibitors Bristol-Myers Squibb Company (US) 2009-09-30 EP claimed
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 claimed
US-6967208-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-22 US claimed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 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-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 US disclosed
US-9718779-B2 Intermediate and polymorphs of 1-(4-methoxypheny1)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetra hydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide and process thereof MSN LABORATORIES LIMITED (IN) 2017-08-01 US disclosed
EP-1427415-A4 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-02 EP 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
EP-1427415-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-06-16 EP disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO 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 (8 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 F10 45/4885F2 2/4885PDE4A 1122/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 F10 43/4885F2 4/4885PDE4A 491/4885
US-20050124602-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 43/4885F2 2/4885PDE4A 1241/4885
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 F10 62/4885F2 2/4885PDE4A 2706/4885
US-20050171085-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors F12, F2, CPB1 F10 45/4885F2 2/4885PDE4A 1122/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 F10 43/4885F2 2/4885PDE4A 1241/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 F10 33/4885F2 13/4885PDE4A 1937/4885
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 F10 29/4885F2 23/4885PDE4A 149/4885

“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.