SCHEMBL1012796

SCHEMBL1012796

c1cc2c(c(-c3ccncc3)c1)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.55
CD44 P16070 2/20 0.51
PKN2 Q16513 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.45
PNMT P11086 2/20 0.43
MAOB P27338 1/20 0.43
NMT1 P30419 1/20 0.42
PARP10 Q53GL7 2/20 0.41
PARP11 Q9NR21 2/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CYP3A4 P08684 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SCN9A Q15858 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
SCHEMBL1403997 0.85 PRCP (0.75) PRCPCD44IRAK4PNMTMAOB
SCHEMBL29419338 0.85 PRCP (0.75) PRCPCD44IRAK4PNMTMAOB
SCHEMBL1011319 0.83 PRCP (0.51) PRCPCD44IRAK4PARP10PARP11
SCHEMBL30519159 0.80 PRCP (0.51) PRCPCD44IRAK4PNMTMAOB
SCHEMBL17021262 0.80 PRCP (0.51) PRCPCD44IRAK4PNMTMAOB
Hydrochloric Acid SCHEMBL29893369 0.79 PRCP (0.50) PRCPCD44IRAK4CD274SCN9A
SCHEMBL21744607 0.79 CD44 (0.46) PRCPCD44PKN2IRAK4PNMT
Hydrochloric Acid SCHEMBL27077371 0.79 PRCP (0.50) PRCPCD44IRAK4CD274SCN9A
SCHEMBL5880546 0.78 CD44 (0.56) PRCPCD44IRAK4PNMTMAOB
SCHEMBL5692082 0.76 NPY5R (0.47) PRCPMAOBCDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-20 US disclosed
EP-2899183-B1 Substituted Tetrahydroisoquinoline Compounds as Factor Xia Inhibitors BRISTOL MYERS SQUIBB CO (US) 2018-09-19 EP disclosed
US-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
US-9725435-B2 Substituted 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
CN-103987696-B Substituted tetrahydro isoquinoline compound as factor XI, plasma thromboplastin antecedent A inhibitor 百时美施贵宝公司 2016-12-21 CN disclosed
US-20160289209-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-06 US disclosed
US-9394276-B2 Substituted 1,2,3,4-tetrahydro-2,6-naphthyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-19 US disclosed
EP-2766347-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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 (7 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-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors F12, TFPI, F11 PRCP 95/4885CD44 4689/4885PKN2 210/4885
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 PRCP 220/4885CD44 4844/4885PKN2 238/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 PRCP 167/4885CD44 4686/4885PKN2 393/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 PRCP 220/4885CD44 4844/4885PKN2 238/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 PRCP 2427/4885CD44 4881/4885PKN2 675/4885
US-20160289209-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 PRCP 220/4885CD44 4844/4885PKN2 238/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 PRCP 2221/4885CD44 4484/4885PKN2 593/4885

“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.