SCHEMBL488488

SCHEMBL488488

OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.36
DAO P14920 1/20 0.35
NR4A2 P43354 1/20 0.35
TNF P01375 1/20 0.34
RIPK1 Q13546 1/20 0.34
P2RX7 Q99572 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CNR1 P21554 1/20 0.32
BACE1 P56817 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CD38 P28907 1/20 0.31
CYP2A13 Q16696 1/20 0.31
VEGFA P15692 1/20 0.31
EPAS1 Q99814 1/20 0.31
NOTUM Q6P988 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
SCHEMBL6072587 0.86 TAAR1 (0.41) TAAR1GAANR4A2P2RX7CNR1
SCHEMBL1358925 0.86 NOTUM (0.42) TAAR1GAANR4A2TNFRIPK1
SCHEMBL21076786 0.84 DAO (0.36) TAAR1DAOTNFRIPK1
SCHEMBL27215165 0.82 TAAR1 (0.38) TAAR1GAANR4A2BACE1
SCHEMBL18585398 0.82 TAAR1 (0.34) TAAR1GAANR4A2KDM4EVEGFA
SCHEMBL15274014 0.82 NOTUM (0.31) TAAR1TNFRIPK1NOTUM
SCHEMBL1376402 0.82 TAAR1 (0.34) TAAR1TNFRIPK1
SCHEMBL18797700 0.82 CYP1A2 (0.32) TAAR1TNFRIPK1VEGFAEPAS1
SCHEMBL29705432 0.82 TAAR1 (0.38) TAAR1GAANR4A2BACE1
SCHEMBL1167603 0.82 P2RX7 (0.43) TAAR1GAANR4A2P2RX7CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265477-B Aminoheteroaryl compounds as protein kinase inhibitors 苏根公司 2017-01-11 CN disclosed
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
EP-1603570-B1 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-01-23 EP disclosed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
EP-1786785-B1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-04-07 EP disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
EP-1061065-B1 Methods for producing cyclopropane carboxylates SUMITOMO CHEMICAL CO (JP) 2006-08-23 EP disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO disclosed
US-6706910-B2 BY TRANSESTERIFICATION OF A CYCLOPROPANECARBOXYLATE AND A MONOHYDROXY COMPOUND IN THE PRESENCE OF A LITHIUM ALKOXIDE OR LITHIUM ARYLOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-16 US disclosed
US-6531626-B1 Transesterification in the presence of a samarium alkoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-11 US disclosed
EP-0992479-B1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL CO (JP) 2003-01-02 EP disclosed
US-6441220-B1 ESTERIFICATION WITH ALCOHOL IN PRESENCE OF BASIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-27 US disclosed
EP-1203760-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-08 EP disclosed
US-20020052525-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 US disclosed
EP-1061065-A2 Methods for producing cyclopropane carboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-20 EP disclosed
EP-0992479-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-04-12 EP 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-20020052525-A1 Method for producing cyclopropanecarboxylates CYP8B1, SRD5A2, CYP21A2 TAAR1 2168/4885GAA 4612/4885DAO 887/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 TAAR1 1739/4885GAA 4169/4885DAO 344/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 TAAR1 2086/4885GAA 4076/4885DAO 556/4885

“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.