SCHEMBL544981

SCHEMBL544981

NCc1ccc(NC(=O)c2cnc3ccc(Oc4ccnc(-c5ncc[nH]5)c4)cc3c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.43
BRAF P15056 4/20 0.43
RAF1 P04049 7/20 0.43
ABL1 P00519 4/20 0.43
EGFR P00533 1/20 0.41
FLT1 P17948 1/20 0.40
SRC P12931 2/20 0.40
MAP3K7 O43318 1/20 0.40
MAP4K2 Q12851 1/20 0.40
MAPK14 Q16539 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
SCHEMBL5425682 0.88 KDR (0.42) KDRBRAFRAF1ABL1EGFR
SCHEMBL5428304 0.86 RAF1 (0.44) KDRBRAFRAF1ABL1EGFR
SCHEMBL545068 0.85 RAF1 (0.43) KDRBRAFRAF1ABL1FLT1
SCHEMBL5423039 0.83 BRAF (0.60) KDRBRAFRAF1ABL1EGFR
SCHEMBL546081 0.79 KDR (0.43) KDRBRAFRAF1ABL1FLT1
SCHEMBL5423110 0.78 KDR (0.54) KDRBRAFRAF1ABL1FLT1
SCHEMBL545498 0.77 RAF1 (0.59) KDRBRAFRAF1ABL1EGFR
SCHEMBL5416351 0.76 RAF1 (0.45) KDRBRAFRAF1ABL1FLT1
SCHEMBL5418586 0.74 RAF1 (0.51) KDRBRAFRAF1ABL1EGFR
SCHEMBL545118 0.73 RAF1 (0.51) KDRBRAFRAF1ABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDR 1264/4885BRAF 215/4885RAF1 198/4885

“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.