SCHEMBL3756347

SCHEMBL3756347

COc1ccc(-c2ccnc(Nc3ccc(-n4cnc(C)n4)cc3)n2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.67
JUN P05412 3/20 0.67
MAPK8 P45983 6/20 0.57
JAK2 O60674 3/20 0.49
JAK3 P52333 1/20 0.49
MAPK9 P45984 2/20 0.46
PIK3CA P42336 3/20 0.44
PIK3CG P48736 3/20 0.44
PIK3CB P42338 2/20 0.44
MAPK1 P28482 1/20 0.44
EGFR P00533 1/20 0.44
CDK2 P24941 1/20 0.44
PTK2B Q14289 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL3752319 0.86 MAPK10 (0.57) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL3751335 0.84 MAPK10 (0.59) MAPK10JUNMAPK8JAK2MAPK9
SCHEMBL3748152 0.82 MAPK10 (0.59) MAPK10JUNMAPK8JAK2MAPK9
SCHEMBL13053954 0.79 MAPK10 (0.70) MAPK10JUNMAPK8JAK2JAK3
SCHEMBL3762675 0.79 MAPK10 (0.66) MAPK10JUNMAPK8JAK2MAPK9
SCHEMBL3758932 0.78 MAPK10 (0.69) MAPK10JUNMAPK8JAK2MAPK9
SCHEMBL3753237 0.78 CLK1 (0.66) MAPK10MAPK8MAPK9CDK2
SCHEMBL3760271 0.77 MAPK10 (0.54) MAPK10JUNMAPK8MAPK9
SCHEMBL15242639 0.77 MAPK10 (0.67) MAPK10MAPK8JAK2MAPK9CDK2
SCHEMBL3753572 0.77 MAPK10 (0.63) MAPK10JUNMAPK8MAPK9MAPK1

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 17 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-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
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
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 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-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US 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-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 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
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 56/4885JUN 73/4885MAPK8 33/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885JUN 73/4885MAPK8 33/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MAPK10 56/4885JUN 73/4885MAPK8 33/4885

“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.