SCHEMBL10177813

SCHEMBL10177813

Cc1ccc(-n2cncn2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2A6 P11509 1/20 0.42
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FBP1 P09467 1/20 0.41
CYP3A4 P08684 2/20 0.40
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL11995606 0.84 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL15985676 0.80 POLB (0.43) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL356291 0.79 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL11995530 0.79 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL12276647 0.79 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL3315742 0.79 KDM4E (0.46) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL14531066 0.79 CYP2C9 (0.47) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL11993142 0.79 KDM4E (0.42) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL27804396 0.78 RAB9A (0.49) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL1912000 0.77 LRRK2 (0.45) CYP1A2CYP2C9CYP2C19CYP2D6SMN1; 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
EP-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 EP disclosed
US-9409918-B2 Bridged bicyclic piperidine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2016-08-09 US disclosed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
EP-2493307-B1 BRIDGED BICYCLIC PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2016-04-27 EP disclosed
US-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-12-17 US disclosed
EP-2255785-A2 Stable emulsion composition Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20100016381-A1 STABLE EMULSION COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US disclosed
EP-1875926-A1 STABLE EMULSION COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
US-7247653-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 US disclosed
US-7247653-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 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 (6 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-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 CYP1A2 2391/4885CYP2C9 2636/4885CYP2C19 2021/4885
US-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT CYP1A2 489/4885CYP2C9 261/4885CYP2C19 216/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 CYP1A2 547/4885CYP2C9 1901/4885CYP2C19 1480/4885
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 CYP1A2 2391/4885CYP2C9 2636/4885CYP2C19 2021/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF CYP1A2 4814/4885CYP2C9 4880/4885CYP2C19 4868/4885
US-20100016381-A1 STABLE EMULSION COMPOSITION LIPA, PHOSPHO1, CEL CYP1A2 1462/4885CYP2C9 1290/4885CYP2C19 940/4885

“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.