SCHEMBL143284

SCHEMBL143284

CN(C(=O)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)C1CCNC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.65
CHEK1 O14757 3/20 0.49
SLC6A4 P31645 6/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A3 Q01959 4/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL147257 0.94 KDR (0.58) KDRCHEK1SLC6A4SLC6A2SLC6A3
SCHEMBL140728 0.84 KDR (0.50) KDRCHEK1SLC6A4SLC6A2SLC6A3
SCHEMBL5354782 0.79 KDR (0.65) KDRCHEK1SLC6A4SLC6A2SLC6A3
SCHEMBL144967 0.79 KDR (1.00) KDRCHEK1
SCHEMBL5082009 0.76 KDR (0.68) KDRCHEK1
SCHEMBL5079326 0.76 CHEK1 (0.54) KDRCHEK1SLC6A4SLC6A2SLC6A3
SCHEMBL5370412 0.76 SLC6A2 (0.62) KDRCHEK1SLC6A4SLC6A2SLC6A3
SCHEMBL145917 0.75 KDR (0.56) KDRCHEK1
SCHEMBL5078673 0.74 KDR (0.70) KDRCHEK1
SCHEMBL5078029 0.74 KDR (0.69) KDRCHEK1

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-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US claimed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 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-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-20040235826-A1 Tyrosine kinase ihnibitors MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003020699-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 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-20040235826-A1 Tyrosine kinase ihnibitors KDR, FLT4, ERBB2 KDR 1/4885CHEK1 955/4885SLC6A4 4367/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885SLC6A4 4772/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDR 1077/4885CHEK1 3154/4885SLC6A4 4772/4885

“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.