SCHEMBL6492447

SCHEMBL6492447

COc1cc(Nc2ncnc(-n3c(Nc4ccc5[nH]ncc5c4)nc4ccccc43)n2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.73
LCK P06239 2/20 0.73
MAPK14 Q16539 2/20 0.73
IGF1R P08069 4/20 0.57
PIK3CA P42336 6/20 0.50
MTOR P42345 6/20 0.50
PIK3CD O00329 3/20 0.48
PIK3CB P42338 3/20 0.48
PIK3CG P48736 3/20 0.48
RET P07949 1/20 0.47
AURKB Q96GD4 1/20 0.45
CDC7 O00311 1/20 0.45
EPHB4 P54760 1/20 0.44
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
TGFBR2 P37173 1/20 0.44
CSNK1D P48730 1/20 0.44
MAOB P27338 1/20 0.43
ROCK2 O75116 1/20 0.42

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
SCHEMBL6487158 0.93 KDR (0.73) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL14214609 0.84 KDR (0.87) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL14214615 0.83 KDR (0.85) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL14214616 0.83 KDR (0.84) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL14214612 0.82 KDR (0.82) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL14214730 0.81 KDR (0.82) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL6489956 0.81 KDR (0.81) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL6480028 0.79 KDR (0.77) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL6478410 0.79 KDR (0.80) KDRLCKMAPK14IGF1RPIK3CA
SCHEMBL6478730 0.79 KDR (0.77) KDRLCKMAPK14IGF1RPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed
US-6916797-B2 α-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2005-07-12 US disclosed
US-6864255-B2 Substituted triazinyl amide derivatives and methods of use AMGEN INC. (US) 2005-03-08 US disclosed
US-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2003-11-27 US disclosed
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use AMGEN INC. 2003-05-08 US disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 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 (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-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists TACR1, TACR2, NPSR1 KDR 1262/4885LCK 1934/4885MAPK14 2247/4885
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use FLT4, FLT1, VEGFA KDR 4/4885LCK 1859/4885MAPK14 3556/4885

“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.