SCHEMBL147603

SCHEMBL147603

Fc1ccc2[nH]c(-c3n[nH]c4cc(Cl)ccc34)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.66
TRPA1 O75762 2/20 0.65
CHEK1 O14757 2/20 0.53
MAP2K4 P45985 3/20 0.47
CYP1A1 P04798 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
SCHEMBL143964 0.84 ITK (0.70) ITKTRPA1CHEK1
SCHEMBL142590 0.82 ITK (0.73) ITKCHEK1
SCHEMBL5637613 0.81 CHEK1 (0.53) ITKTRPA1CHEK1MAP2K4
SCHEMBL144764 0.80 MAP2K4 (0.65) ITKTRPA1CHEK1MAP2K4
SCHEMBL4130575 0.80 ITK (0.73) ITKCHEK1
SCHEMBL142647 0.79 CHEK1 (0.52) ITKTRPA1CHEK1MAP2K4
SCHEMBL146941 0.79 CHEK1 (0.54) ITKTRPA1CHEK1MAP2K4
SCHEMBL5662556 0.77 CHEK1 (0.57) ITKTRPA1CHEK1MAP2K4
SCHEMBL9271850 0.77 MAP2K4 (0.64) TRPA1MAP2K4
SCHEMBL144396 0.77 MAP2K4 (0.68) ITKTRPA1CHEK1MAP2K4

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 ITK 2496/4885TRPA1 4439/4885CHEK1 3154/4885
US-20050070546-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ITK 377/4885TRPA1 3838/4885CHEK1 499/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ITK 2496/4885TRPA1 4439/4885CHEK1 3154/4885

“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.