SCHEMBL144497

SCHEMBL144497

[O-][n+]1cccc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.58
ITK Q08881 14/20 0.57
CDK4 P11802 2/20 0.57
CCNA2 P20248 2/20 0.57
CCND1 P24385 2/20 0.57
CDK2 P24941 2/20 0.57
CCND3 P30281 2/20 0.57
FGFR1 P11362 1/20 0.57
KDR P35968 1/20 0.57
CDK7 P50613 1/20 0.48
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43
DYRK1A Q13627 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL144541 0.87 CHEK1 (0.61) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL5637175 0.79 ITK (0.66) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL5635858 0.78 CLK3 (0.69) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL144735 0.77 CHEK1 (0.60) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL142954 0.77 CHEK1 (0.60) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL144034 0.77 ITK (0.63) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL5638538 0.76 KDR (0.70) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL142666 0.75 ITK (0.64) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL143464 0.75 ITK (0.66) CHEK1ITKCDK4CCNA2CCND1
SCHEMBL145584 0.75 ITK (1.00) CHEK1ITK

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 2496/4885CDK4 896/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885ITK 377/4885CDK4 132/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885ITK 2496/4885CDK4 896/4885

“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.