SCHEMBL145013

SCHEMBL145013

CC(CC(=O)O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.73
CDK7 P50613 15/20 0.56

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
SCHEMBL5054091 0.88 CHEK1 (0.74) CHEK1CDK7
SCHEMBL150384 0.84 CHEK1 (1.00) CHEK1CDK7
SCHEMBL145136 0.83 CHEK1 (0.50) CHEK1CDK7
SCHEMBL5635709 0.82 CHEK1 (0.82) CHEK1CDK7
SCHEMBL147483 0.82 CHEK1 (0.82) CHEK1CDK7
SCHEMBL146998 0.81 CHEK1 (0.74) CHEK1CDK7
SCHEMBL145120 0.79 CHEK1 (0.72) CHEK1CDK7
SCHEMBL27688761 0.77 CHEK1 (0.79) CHEK1CDK7
SCHEMBL27708364 0.76 CHEK1 (0.76) CHEK1CDK7
SCHEMBL4161261 0.75 CHEK1 (0.48) CHEK1CDK7

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-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 US claimed
US-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US claimed
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 WO 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-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 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-20050070546-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
WO-2003024969-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-27 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 CHEK1 3154/4885CDK7 2224/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885CDK7 282/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885CDK7 2224/4885

“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.