SCHEMBL4375322

SCHEMBL4375322

FC(F)(F)c1ccc(Nc2nc3cc(Oc4ccnc5[nH]ccc45)ccc3o2)nc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.51
BRAF P15056 7/20 0.46
RAF1 P04049 5/20 0.46
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
ROCK2 O75116 3/20 0.39
TTBK1 Q5TCY1 2/20 0.39
MET P08581 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 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
SCHEMBL4365818 0.69 KDR (0.66) KDRBRAFRAF1ROCK2MET
SCHEMBL4361243 0.68 KDR (1.00) KDR
SCHEMBL4364229 0.67 KDR (0.80) KDRMET
SCHEMBL4814436 0.66 KDR (0.52) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL4363875 0.66 MEN1 (0.63) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL4362982 0.66 KDR (1.00) KDRMET
SCHEMBL4816425 0.65 MET (0.49) KDRBRAFMAPK14TNNI3KROCK2
SCHEMBL18435808 0.65 BRAF (0.65) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL2747222 0.64 KDR (0.57) KDRBRAFMAPK14TNNI3KMET
SCHEMBL19879433 0.63 BRAF (1.00) BRAFRAF1

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.