SCHEMBL6478557

SCHEMBL6478557

Clc1nc2ccccc2n1-c1ncnc(Nc2cccc(Cn3ccnn3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.47
MTOR P42345 9/20 0.47
CYP19A1 P11511 2/20 0.41
KDR P35968 3/20 0.41
LCK P06239 2/20 0.41
MAPK14 Q16539 2/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
TGFBR2 P37173 1/20 0.41
CSNK1D P48730 1/20 0.41
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SCN9A Q15858 1/20 0.36
CDK2 P24941 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6479012 0.89 PIK3CA (0.47) PIK3CAMTORCYP19A1KDRLCK
SCHEMBL6479294 0.81 CYP19A1 (0.48) CYP19A1KDRLCKCSNK1DNPC1
SCHEMBL6485821 0.79 PIK3CA (0.52) PIK3CAMTORKDRLCKMAPK14
SCHEMBL6492733 0.77 PIK3CA (0.50) PIK3CAMTORKDRLCKMAPK14
SCHEMBL6479352 0.77 KDR (0.54) PIK3CAMTORKDRLCKMAPK14
SCHEMBL6493998 0.77 PIK3CA (0.46) PIK3CAMTORKDRLCKMAPK14
SCHEMBL6490189 0.76 CYP19A1 (0.44) CYP19A1KDRCDK2
SCHEMBL6487099 0.76 PIK3CA (0.46) PIK3CAMTORKDRLCKMAPK14
SCHEMBL14214693 0.76 FGFR2 (0.42) CYP19A1KDRCSNK1DCCNT1CDK9
SCHEMBL6478952 0.69 KDR (0.74) PIK3CAMTORKDRLCKMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864255-B2 Substituted triazinyl amide derivatives and methods of use AMGEN INC. (US) 2005-03-08 US disclosed
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use AMGEN INC. 2003-05-08 US disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 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 (1 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-20030087908-A1 Substituted triazinyl amide derivatives and methods of use FLT4, FLT1, VEGFA PIK3CA 475/4885MTOR 1843/4885CYP19A1 215/4885

“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.