SCHEMBL144041

SCHEMBL144041

c1ccc2[nH]c(-c3n[nH]c4cc(-c5nnn[nH]5)ccc34)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.68
ITK Q08881 16/20 0.61
FGFR1 P11362 1/20 0.57
CDK4 P11802 1/20 0.57
CCNA2 P20248 1/20 0.57
CCND1 P24385 1/20 0.57
CDK2 P24941 1/20 0.57
CCND3 P30281 1/20 0.57
KDR P35968 1/20 0.57
CDK7 P50613 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
SCHEMBL5636603 0.80 CHEK1 (0.60) CHEK1ITKFGFR1CDK4CCNA2
SCHEMBL5637175 0.79 ITK (0.66) CHEK1ITKFGFR1CDK4CCNA2
SCHEMBL142666 0.78 ITK (0.64) CHEK1ITKFGFR1CDK4CCNA2
SCHEMBL5361594 0.77 RAB9A (0.50) CHEK1ITKKDR
SCHEMBL145584 0.77 ITK (1.00) CHEK1ITK
SCHEMBL29470244 0.77 ITK (1.00) CHEK1ITK
SCHEMBL144034 0.77 ITK (0.63) CHEK1ITKFGFR1CDK4CCNA2
SCHEMBL5054048 0.76 CHEK1 (0.62) CHEK1CDK7
SCHEMBL144541 0.76 CHEK1 (0.61) CHEK1ITKFGFR1CDK4CCNA2
SCHEMBL5635858 0.76 CLK3 (0.69) CHEK1ITKFGFR1CDK4CCNA2

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 3154/4885ITK 2496/4885FGFR1 5/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885ITK 377/4885FGFR1 168/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885ITK 2496/4885FGFR1 5/4885

“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.