SCHEMBL146941

SCHEMBL146941

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
ITK Q08881 13/20 0.47
TRPA1 O75762 1/20 0.43
MAP2K4 P45985 2/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL5637613 0.91 CHEK1 (0.53) CHEK1ITKTRPA1MAP2K4
SCHEMBL142647 0.88 CHEK1 (0.52) CHEK1ITKTRPA1MAP2K4PTGS2
SCHEMBL5635710 0.82 CHEK1 (0.54) CHEK1ITK
SCHEMBL143964 0.82 ITK (0.70) CHEK1ITKTRPA1
SCHEMBL147603 0.79 ITK (0.66) CHEK1ITKTRPA1MAP2K4
SCHEMBL5636233 0.79 ITK (0.53) CHEK1ITKMAP2K4
SCHEMBL144764 0.78 MAP2K4 (0.65) CHEK1ITKTRPA1MAP2K4
SCHEMBL142590 0.77 ITK (0.73) CHEK1ITK
SCHEMBL146998 0.77 CHEK1 (0.74) CHEK1
SCHEMBL144396 0.76 MAP2K4 (0.68) CHEK1ITKTRPA1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 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 (2 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 2496/4885TRPA1 4439/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 CHEK1 3154/4885ITK 2496/4885TRPA1 4439/4885

“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.