SCHEMBL3578161

SCHEMBL3578161

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.42
FGFR1 P11362 3/20 0.42
NAMPT P43490 2/20 0.40
NTRK1 P04629 4/20 0.37
BRAF P15056 2/20 0.36
HDAC1 Q13547 1/20 0.35
CCKBR P32239 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
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
NSD2 O96028 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
SCHEMBL3578162 1.00 KDR (0.42) KDRFGFR1NAMPTNTRK1BRAF
SCHEMBL3577932 0.86 KDR (0.46) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL3577933 0.86 KDR (0.46) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL3581341 0.85 KDR (0.42) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL3571787 0.85 KDR (0.48) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL3571783 0.85 KDR (0.48) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL3572736 0.85 KDR (0.45) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL3572738 0.85 KDR (0.45) KDRFGFR1NTRK1BRAFAURKA
SCHEMBL13255716 0.84 KDR (0.44) KDRFGFR1NTRK1BRAFMAPT
SCHEMBL3575229 0.84 KDR (0.44) KDRFGFR1NTRK1BRAFAURKA

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
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
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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 (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 252/4885NAMPT 2777/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDR 226/4885FGFR1 171/4885NAMPT 1612/4885

“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.