SCHEMBL1817147

SCHEMBL1817147

Cc1cc(N)n(-c2ccccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
PDE4B Q07343 1/20 0.43
OPRM1 P35372 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL13172113 0.87 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL12528207 0.82 KDM4E (0.65) CYP2C19MAPK1CYP2C9ALDH1A1POLB
SCHEMBL1143383 0.82 CYP1A2 (0.62) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL15428757 0.81 ALDH1A1 (0.53) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL31324272 0.81 LMNA (0.51) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL11334891 0.81 CYP1A2 (0.49) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL11652491 0.81 LMNA (0.51) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL15428648 0.81 CYP1A2 (0.56) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11473767 0.81 CYP1A2 (0.61) CYP1A2CYP2C19MAPK1RAB9ASMN1; SMN2
SCHEMBL15428589 0.79 CYP1A2 (0.59) CYP1A2CYP2C19MAPK1RAB9ASMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 US disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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 (3 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT CYP1A2 53/4885CYP2C19 44/4885MAPK1 4445/4885

“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.