SCHEMBL4359495

SCHEMBL4359495

CNc1nccc(Oc2ccc3[nH]c(Nc4ccc(Cl)c(C(F)(F)F)c4)nc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.58
BRAF P15056 6/20 0.58
RAF1 P04049 5/20 0.58
TEK Q02763 5/20 0.43
MAPK14 Q16539 2/20 0.43
TNNI3K Q59H18 2/20 0.43
CDK8 P49336 3/20 0.42
CCNC P24863 2/20 0.41
MEN1 O00255 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
AURKA O14965 1/20 0.40
MUSK O15146 1/20 0.40
EPHB6 O15197 1/20 0.40
MAPK13 O15264 1/20 0.40
MLNR O43193 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
DYRK3 O43781 1/20 0.40
PDE6D O43924 1/20 0.40

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
SCHEMBL4541465 0.87 KDR (0.52) KDRBRAFRAF1METFGFR1
SCHEMBL4360543 0.87 KDR (0.57) KDRBRAFRAF1MEN1CSNK1A1
SCHEMBL4360523 0.85 KDR (0.56) KDRBRAFRAF1TEKMAPK14
SCHEMBL5790777 0.84 KDR (0.62) KDRBRAFRAF1MEN1CSNK1A1
SCHEMBL4372559 0.81 KDR (0.85) KDRBRAFRAF1TEKMAPK14
SCHEMBL17522957 0.81 RAF1 (0.75) KDRBRAFRAF1TEKMAPK14
SCHEMBL13861959 0.81 KDR (0.61) KDRBRAFRAF1FGFR1FLT1
SCHEMBL4363514 0.80 RAF1 (0.88) KDRBRAFRAF1TEKMAPK14
SCHEMBL4366061 0.79 KDR (0.88) KDRTEKCDK8METCDK2
SCHEMBL14601467 0.77 RAF1 (0.66) KDRBRAFRAF1TEKTNNI3K

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
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS KDR 83/4885BRAF 612/4885RAF1 1846/4885

“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.