SCHEMBL4366963

SCHEMBL4366963

CC(Oc1cc(Nc2nc3cc(Oc4ccnc5ccccc45)ccc3[nH]2)ccc1C(F)(F)F)C1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.59
PDE10A Q9Y233 3/20 0.38
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
BRAF P15056 3/20 0.36
RAF1 P04049 2/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36
ERN1 O75460 2/20 0.35
MAPK10 P53779 2/20 0.35
TEK Q02763 2/20 0.34

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
SCHEMBL4371830 0.86 KDR (0.49) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL4366959 0.80 KDR (0.90) KDRPDE10ATEK
SCHEMBL13861960 0.80 KDR (0.90) KDRPDE10ATEK
SCHEMBL4365349 0.76 KDR (0.52) KDRPDE10ACSNK1A1CSNK1DGSK3B
SCHEMBL4362218 0.76 KDR (0.58) KDRBRAFRAF1TEK
SCHEMBL4367201 0.73 FGFR2 (0.52) KDRPDE10ACSNK1A1CSNK1DGSK3B
SCHEMBL4366196 0.66 KDR (0.89) KDR
SCHEMBL4367202 0.66 KDR (0.66) KDRTEK
SCHEMBL5792275 0.66 KDR (0.66) KDRTEK
SCHEMBL4362174 0.66 RORC (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP claimed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO claimed
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 83/4885PDE10A 947/4885CSNK1A1 2534/4885

“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.