SCHEMBL144764

SCHEMBL144764

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.65
ITK Q08881 7/20 0.59
CHEK1 O14757 6/20 0.57
CDK7 P50613 3/20 0.47
MAPK1 P28482 2/20 0.46
MAPK6 Q16659 2/20 0.46
TRPA1 O75762 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44

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
SCHEMBL5662556 0.87 CHEK1 (0.57) MAP2K4ITKCHEK1CDK7TRPA1
SCHEMBL144396 0.86 MAP2K4 (0.68) MAP2K4ITKCHEK1CDK7TRPA1
SCHEMBL5638048 0.86 CHEK1 (0.60) MAP2K4ITKCHEK1CDK7
SCHEMBL4125482 0.84 ITK (0.81) MAP2K4ITKCHEK1MAPK1MAPK6
SCHEMBL148271 0.82 CHEK1 (0.59) MAP2K4CHEK1CDK7
SCHEMBL5638533 0.81 ITK (0.81) MAP2K4ITKCHEK1MAPK1MAPK6
SCHEMBL147603 0.80 ITK (0.66) MAP2K4ITKCHEK1TRPA1
SCHEMBL143964 0.80 ITK (0.70) ITKCHEK1TRPA1
SCHEMBL5637613 0.80 CHEK1 (0.53) MAP2K4ITKCHEK1CDK7TRPA1
SCHEMBL22801745 0.79 MAP2K4 (1.00) MAP2K4MAPK1MAPK6MAPKAPK5

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 MAP2K4 664/4885ITK 2496/4885CHEK1 3154/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAP2K4 356/4885ITK 377/4885CHEK1 499/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 MAP2K4 664/4885ITK 2496/4885CHEK1 3154/4885

“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.