SCHEMBL12044367

SCHEMBL12044367

Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)/C4=C\Nc3cc[nH]n3)c2)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
FGFR1 P11362 3/20 0.47
BRAF P15056 2/20 0.44
NTRK1 P04629 4/20 0.37
AURKB Q96GD4 2/20 0.36
AURKA O14965 3/20 0.36
RAF1 P04049 1/20 0.36
SRC P12931 1/20 0.36
NTRK2 Q16620 1/20 0.36
KMT2A Q03164 2/20 0.36
NTRK3 Q16288 1/20 0.36
PDGFRB P09619 2/20 0.35
KIT P10721 2/20 0.35
FLT1 P17948 2/20 0.35
TLK2 Q86UE8 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL12044072 1.00 KDR (0.47) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL12044091 0.94 KDR (0.48) KDRFGFR1BRAFAURKAKMT2A
SCHEMBL12044369 0.89 KDR (0.48) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL12044224 0.89 KDR (0.48) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL3571783 0.87 KDR (0.48) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL12044108 0.87 FGFR1 (0.40) KDRFGFR1BRAFTLK2
SCHEMBL3571787 0.87 KDR (0.48) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL3580742 0.85 KDR (0.51) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL3580746 0.85 KDR (0.51) KDRFGFR1BRAFNTRK1AURKB
SCHEMBL12044093 0.84 KDR (0.39) KDRFGFR1KMT2ATLK2MEN1

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-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-20100168199-A1 Kinase Inhibitors ALLENGAN, INC. (US) 2010-07-01 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-20100168199-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KDR 226/4885FGFR1 171/4885BRAF 21/4885
US-20110319460-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.