SCHEMBL4758715

SCHEMBL4758715

CONC(=O)CCCc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(NC(=O)c5cc(C)nn5C)c4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
FGFR1 P11362 3/20 0.41
BRAF P15056 1/20 0.36
NTRK1 P04629 3/20 0.36
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
USP1 O94782 1/20 0.33
AURKB Q96GD4 3/20 0.33
TLK2 Q86UE8 2/20 0.33
AURKA O14965 1/20 0.33
RAF1 P04049 1/20 0.33
SRC P12931 1/20 0.33
NTRK2 Q16620 1/20 0.33
FLT3 P36888 1/20 0.32

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
SCHEMBL4758717 1.00 KDR (0.41) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3575231 0.91 KDR (0.44) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3575229 0.91 KDR (0.44) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3581069 0.90 KDR (0.41) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3581074 0.90 KDR (0.41) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3572736 0.89 KDR (0.45) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3572738 0.89 KDR (0.45) KDRFGFR1BRAFNTRK1POLB
SCHEMBL3577932 0.86 KDR (0.46) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3577933 0.86 KDR (0.46) KDRFGFR1BRAFNTRK1KMT2A
SCHEMBL3571787 0.85 KDR (0.48) KDRFGFR1BRAFNTRK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDR 226/4885FGFR1 171/4885BRAF 21/4885

“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.