SCHEMBL142647

SCHEMBL142647

NS(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.52
MAP2K4 P45985 3/20 0.47
MAP2K7 O14733 1/20 0.47
TTK P33981 4/20 0.45
ITK Q08881 7/20 0.44
TRPA1 O75762 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTGS2 P35354 1/20 0.40
CDK7 P50613 1/20 0.40

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
SCHEMBL5636233 0.91 ITK (0.53) CHEK1MAP2K4MAP2K7TTKITK
SCHEMBL5637613 0.91 CHEK1 (0.53) CHEK1MAP2K4ITKTRPA1CDK7
SCHEMBL146941 0.88 CHEK1 (0.54) CHEK1MAP2K4ITKTRPA1PTGS2
SCHEMBL145284 0.84 MAP2K4 (0.43) CHEK1MAP2K4MAP2K7TTKITK
SCHEMBL146380 0.83 ITK (0.45) MAP2K4MAP2K7TTKITKTRPA1
SCHEMBL150249 0.82 MAP2K4 (0.46) CHEK1MAP2K4MAP2K7TTKITK
SCHEMBL141687 0.82 ITK (0.64) CHEK1MAP2K4MAP2K7TTKITK
SCHEMBL148625 0.81 CHEK1 (0.45) CHEK1MAP2K4MAP2K7ITKTRPA1
SCHEMBL5635710 0.80 CHEK1 (0.54) CHEK1ITK
SCHEMBL143964 0.79 ITK (0.70) CHEK1ITKTRPA1

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 9 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
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 3154/4885MAP2K4 664/4885MAP2K7 474/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885MAP2K4 356/4885MAP2K7 211/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885MAP2K4 664/4885MAP2K7 474/4885

“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.