SCHEMBL3754393

SCHEMBL3754393

CS(=O)(=O)c1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
PTGS1 P23219 4/20 0.46
IKBKB O14920 3/20 0.44
CHUK O15111 1/20 0.44
DYRK1B Q9Y463 3/20 0.44
TGFBR1 P36897 1/20 0.43
CDK2 P24941 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 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
SCHEMBL3756282 0.81 NR1H2 (0.46)
SCHEMBL3752838 0.81 JAK2 (0.40) IKBKBDYRK1BMAPK8MAPK10
SCHEMBL16826895 0.80 PTGS2 (0.56) PTGS2IKBKBCHUKDYRK1BMAPK8
SCHEMBL2854548 0.80 MAPK8 (0.57) IKBKBCHUKMAPK8MAPK10
SCHEMBL444442 0.77 KMT2A (0.56)
SCHEMBL3399284 0.76 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL441888 0.76 MAPT (0.59) IKBKBDYRK1BCDK2
SCHEMBL25338421 0.76 TGFBR1 (0.49) PTGS2PTGS1TGFBR1
SCHEMBL31118977 0.76 TGFBR1 (0.49) PTGS2PTGS1TGFBR1
SCHEMBL29802375 0.75 PTGS2 (0.49) PTGS2PTGS1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS2 2528/4885PTGS1 2446/4885IKBKB 288/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS2 2528/4885PTGS1 2446/4885IKBKB 288/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 PTGS2 2528/4885PTGS1 2446/4885IKBKB 288/4885

“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.