Sugi Predict

Sugi Predict / Compounds / SCHEMBL144954

SCHEMBL144954

SCHEMBL144954

c1ccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 9/20 0.76
▸ CDK1 P06493 9/20 0.76
▸ CCNB1 P14635 9/20 0.76
▸ CCNB3 Q8WWL7 9/20 0.76
▸ FLT3 P36888 3/20 0.70
▸ MKNK1 Q9BUB5 2/20 0.70
▸ MKNK2 Q9HBH9 2/20 0.70
▸ EIF2AK2 P19525 1/20 0.64
▸ EGFR P00533 2/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ BCR P11274 1/20 0.64
▸ SRC P12931 1/20 0.64
▸ PRKCA P17252 1/20 0.64
▸ PRKACA P17612 1/20 0.64
▸ PRKACG P22612 1/20 0.64
▸ PRKACB P22694 1/20 0.64
▸ PRKCD Q05655 1/20 0.64
▸ CLK1 P49759 1/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ CDK5 Q00535 1/20 0.60

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
SCHEMBL31588329 1.00 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL4510383 0.90 FLT3 (0.64) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL2542944 0.88 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL1586801 0.88 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL4517500 0.87 FLT3 (0.60) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL7467183 0.87 FLT3 (0.60) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL2544992 0.86 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3MKNK2
SCHEMBL140969 0.86 CCNB2 (0.64) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL6260797 0.85 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3FLT3
SCHEMBL7623938 0.85 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3FLT3

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 21 patents — showing the first 20. 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
WO-2002102783-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-12-27 — — WO claimed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 — — EP claimed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 — — EP claimed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 — — US claimed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 — — EP claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 — — US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 — — US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 — — US disclosed
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 — — EP disclosed
WO-2007149427-A3 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-02-21 — — WO disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO disclosed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO 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 (5 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 CCNB2 2634/4885CDK1 2901/4885CCNB1 3324/4885
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 CCNB2 1037/4885CDK1 129/4885CCNB1 1308/4885
US-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET CCNB2 1045/4885CDK1 178/4885CCNB1 943/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CCNB2 2634/4885CDK1 2901/4885CCNB1 3324/4885
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 CCNB2 1187/4885CDK1 202/4885CCNB1 1190/4885

“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.