SCHEMBL5187331

SCHEMBL5187331

[c]1nc(-c2ccccc2)c(-c2nccc(-c3ccccc3)n2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
ADORA2A P29274 1/20 0.44
MAPK13 O15264 3/20 0.40
RAF1 P04049 3/20 0.40
MAPK9 P45984 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL699188 0.76 KDM4E (0.45) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL4767102 0.76 KDM4E (0.39) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL190954 0.72 AURKA (0.63) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL29620532 0.72 AURKA (0.63) AURKAHSP90AA1PRKACAADORA2AKMT2A
Ammonia Solution, Strong SCHEMBL20267253 0.70 AURKA (0.61) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL29736136 0.70 AURKA (0.61) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL11166709 0.70 NPY5R (0.45) HSP90AA1KDM4EL3MBTL1RAB9ANPC1
SCHEMBL5189129 0.70 AURKA (0.44) AURKAHSP90AA1PRKACAADORA2AMAPK13
SCHEMBL21003801 0.69 KMT2A (0.61) AURKAHSP90AA1PRKACAADORA2AKMT2A
SCHEMBL18732403 0.69 KMT2A (0.61) AURKAHSP90AA1PRKACAADORA2AKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP claimed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO claimed
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US claimed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US claimed
EP-1805136-A1 SUBSTITUTED PHENYLALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-07-11 EP disclosed
WO-2006050097-A1 SUBSTITUTED PHENYLALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-11 WO disclosed
US-20060100251-A1 Substituted phenylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-05-11 US disclosed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US disclosed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 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 (2 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-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B AURKA 4131/4885HSP90AA1 975/4885PRKACA 866/4885
US-20060100251-A1 Substituted phenylalkanoic acids PTPRJ, PTP4A1, PTPN1 AURKA 4179/4885HSP90AA1 911/4885PRKACA 411/4885

“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.