SCHEMBL3755965

SCHEMBL3755965

Cc1ncn(-c2ccc(Nc3cccc(-c4ccc(S(C)(=O)=O)c(N5CCOCC5)c4)c3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.53
MAPK8 P45983 8/20 0.53
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
MAPK9 P45984 2/20 0.42
JUN P05412 4/20 0.42
PTK2 Q05397 3/20 0.42
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
SYK P43405 3/20 0.41

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
SCHEMBL8058492 0.83 MAPK10 (0.70) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3756224 0.75 MAPK10 (0.56) MAPK10MAPK8MAPK9JUNSYK
SCHEMBL3748934 0.73 MAPK10 (0.69) MAPK10MAPK8MAPK9PTK2JAK2
SCHEMBL3752672 0.69 MAPK8 (1.00) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3750767 0.69 MAPK10 (0.73) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3750455 0.69 MAPK10 (0.52) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3759133 0.67 MAPK10 (0.73) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3756546 0.67 MAPK10 (0.70) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3759004 0.66 MAPK10 (0.74) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3759032 0.64 MAPK10 (0.67) MAPK10MAPK8MAPK9JUNPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP claimed
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 MAPK10 56/4885MAPK8 33/4885RAF1 108/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885MAPK8 33/4885RAF1 108/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885MAPK8 33/4885RAF1 108/4885

“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.