SCHEMBL144396

SCHEMBL144396

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.68
CHEK1 O14757 7/20 0.60
CDK7 P50613 3/20 0.60
ITK Q08881 9/20 0.47
TRPA1 O75762 1/20 0.46
FGFR1 P11362 1/20 0.44
CDK4 P11802 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
KDR P35968 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
SCHEMBL5638048 0.87 CHEK1 (0.60) MAP2K4CHEK1CDK7ITKKDR
SCHEMBL144764 0.86 MAP2K4 (0.65) MAP2K4CHEK1CDK7ITKTRPA1
SCHEMBL5662556 0.83 CHEK1 (0.57) MAP2K4CHEK1CDK7ITKTRPA1
SCHEMBL5051854 0.83 CHEK1 (0.71) MAP2K4CHEK1CDK7ITK
SCHEMBL22801611 0.81 MAP2K4 (1.00) MAP2K4TRPA1KDR
SCHEMBL143964 0.79 ITK (0.70) CHEK1ITKTRPA1
SCHEMBL148271 0.79 CHEK1 (0.59) MAP2K4CHEK1CDK7KDR
SCHEMBL6710661 0.78 HDAC6 (0.55) MAP2K4
SCHEMBL5054077 0.78 CHEK1 (0.64) MAP2K4CHEK1CDK7ITK
SCHEMBL147603 0.77 ITK (0.66) MAP2K4CHEK1ITKTRPA1

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 664/4885CHEK1 3154/4885CDK7 2224/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAP2K4 356/4885CHEK1 499/4885CDK7 282/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 MAP2K4 664/4885CHEK1 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.