SCHEMBL3575229

SCHEMBL3575229

Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)/C4=C\Nc3ccc(CCCC(=O)O)cc3)c2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.44
FGFR1 P11362 3/20 0.44
NTRK1 P04629 3/20 0.37
BRAF P15056 1/20 0.36
AURKB Q96GD4 3/20 0.35
FLT3 P36888 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TLK2 Q86UE8 1/20 0.35
USP1 O94782 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
AURKA O14965 1/20 0.34
RAF1 P04049 1/20 0.34
SRC P12931 1/20 0.34
NTRK2 Q16620 1/20 0.34
FLT4 P35916 1/20 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
SCHEMBL3575231 1.00 KDR (0.44) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL3572736 0.96 KDR (0.45) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL3572738 0.96 KDR (0.45) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL3580624 0.92 KDR (0.46) KDRFGFR1NTRK1AURKBFLT3
SCHEMBL3580625 0.92 KDR (0.46) KDRFGFR1NTRK1AURKBFLT3
SCHEMBL3577932 0.92 KDR (0.46) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL3577933 0.92 KDR (0.46) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL4758715 0.91 KDR (0.41) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL4758717 0.91 KDR (0.41) KDRFGFR1NTRK1BRAFAURKB
SCHEMBL3581074 0.91 KDR (0.41) KDRFGFR1NTRK1BRAFAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US claimed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US claimed
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
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 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 (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885FGFR1 252/4885NTRK1 307/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDR 226/4885FGFR1 171/4885NTRK1 413/4885

“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.