SCHEMBL5637613

SCHEMBL5637613

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
ITK Q08881 12/20 0.46
TRPA1 O75762 1/20 0.45
MAP2K4 P45985 3/20 0.44
AKR1B1 P15121 1/20 0.41
CDK7 P50613 1/20 0.39

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
SCHEMBL142647 0.91 CHEK1 (0.52) CHEK1ITKTRPA1MAP2K4CDK7
SCHEMBL146941 0.91 CHEK1 (0.54) CHEK1ITKTRPA1MAP2K4
SCHEMBL5635710 0.82 CHEK1 (0.54) CHEK1ITK
SCHEMBL147603 0.81 ITK (0.66) CHEK1ITKTRPA1MAP2K4
SCHEMBL143964 0.81 ITK (0.70) CHEK1ITKTRPA1
SCHEMBL5636233 0.81 ITK (0.53) CHEK1ITKMAP2K4
SCHEMBL144764 0.80 MAP2K4 (0.65) CHEK1ITKTRPA1MAP2K4CDK7
SCHEMBL142590 0.79 ITK (0.73) CHEK1ITK
SCHEMBL145284 0.77 MAP2K4 (0.43) CHEK1ITKMAP2K4
SCHEMBL5662556 0.77 CHEK1 (0.57) CHEK1ITKTRPA1MAP2K4CDK7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-7101884-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-09-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CHEK1 499/4885ITK 377/4885TRPA1 3838/4885

“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.