SCHEMBL3748505

SCHEMBL3748505

CS(=O)(=O)c1ccc(-c2ccnc(NC3CCN(C(=O)O)CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.60
MAPK8 P45983 4/20 0.55
MAPK9 P45984 3/20 0.54
CHUK O15111 2/20 0.54
MAPK10 P53779 2/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
PTGS2 P35354 3/20 0.49
PTGS1 P23219 1/20 0.47
DGAT1 O75907 1/20 0.46
JUN P05412 1/20 0.46
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45

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
SCHEMBL13054026 0.86 GPR119 (0.58) IKBKBMAPK8
SCHEMBL3748251 0.83 PTGS2 (0.69) IKBKBMAPK8MAPK9CHUKMAPK10
SCHEMBL16390873 0.83 JAK2 (0.57) IKBKBMAPK8MAPK9CHUKDGAT1
SCHEMBL3760011 0.75 PTGS2 (0.50) IKBKBMAPK8MAPK9CHUKMAPK10
SCHEMBL3653485 0.74 HDAC8 (0.54) MAPK8MAPK9MAPK10MAPK11MAPK14
SCHEMBL3645036 0.74 HDAC8 (0.54) MAPK8MAPK9MAPK10MAPK11MAPK14
SCHEMBL3981387 0.73 GPR119 (0.44)
SCHEMBL3983393 0.72 PAICS (0.43)
SCHEMBL3647354 0.72 CYP11B2 (0.58) IKBKBMAPK8MAPK9MAPK10DGAT1
SCHEMBL4200743 0.72 CDK2 (0.62) MAPK8MAPK9MAPK10JUNCDK2

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 IKBKB 288/4885MAPK8 33/4885MAPK9 30/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 IKBKB 288/4885MAPK8 33/4885MAPK9 30/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 IKBKB 288/4885MAPK8 33/4885MAPK9 30/4885

“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.