SCHEMBL142677

SCHEMBL142677

COc1ccc2c(ccn2-c2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.62
KDR P35968 12/20 0.60
FLT1 P17948 4/20 0.60
FLT4 P35916 4/20 0.60
EGFR P00533 2/20 0.49
PTK2 Q05397 2/20 0.49
AKT1 P31749 1/20 0.47
PLK1 P53350 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAPT P10636 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL140441 0.82 KDR (0.54) ROCK1KDRFLT1FLT4EGFR
SCHEMBL141421 0.82 KDR (0.54) ROCK1KDRFLT1FLT4
SCHEMBL147427 0.82 KDR (0.58) ROCK1KDRFLT1FLT4EGFR
SCHEMBL148200 0.81 KDR (0.61) ROCK1KDRFLT1FLT4PTK2
SCHEMBL144515 0.77 KDR (0.57) ROCK1KDRFLT1FLT4
SCHEMBL12821389 0.77 ROCK1 (1.00) ROCK1
SCHEMBL5833573 0.76 ROCK1 (0.64) ROCK1PTK2MAPT
SCHEMBL14380882 0.76 PTK2 (0.59) KDRFLT1FLT4EGFRPTK2
SCHEMBL4294118 0.76 KDR (0.52) ROCK1KDRFLT1MAPT
SCHEMBL5102342 0.76 ROCK1 (0.70) ROCK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171630-A1 both receptor-type and non-receptor type tyrosine kinases; to treat angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, KIM YUNTAE (US) 2004-09-02 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040171630-A1 both receptor-type and non-receptor type tyrosine kinases; to treat angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, KIM YUNTAE (US) 2004-09-02 US disclosed
WO-2002102783-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-12-27 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 (3 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 ROCK1 728/4885KDR 1077/4885FLT1 565/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ROCK1 728/4885KDR 1077/4885FLT1 565/4885
US-20040171630-A1 both receptor-type and non-receptor type tyrosine kinases; to treat angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, KDR, FLT4, FLT1 ROCK1 297/4885KDR 1/4885FLT1 3/4885

“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.