SCHEMBL3752938

SCHEMBL3752938

N#Cc1cc(-c2ccnc(Cl)n2)cc(N2CCC(O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
PDE4D Q08499 1/20 0.42
MAPK8 P45983 3/20 0.40
MAPK10 P53779 3/20 0.40
GRM5 P41594 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
LRRK2 Q5S007 4/20 0.36
NOTUM Q6P988 1/20 0.35
MAP4K1 Q92918 1/20 0.35
PIM1 P11309 1/20 0.35
ABL1 P00519 3/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL3753467 0.94 LRRK2 (0.42) ARCDK1CDK2PDE4DMAPK8
SCHEMBL3748419 0.94 PDE4D (0.45) ARCDK1CDK2PDE4DMAPK8
SCHEMBL3748861 0.80 MAPK8 (0.56) PDE4DMAPK8MAPK10LRRK2CHEK1
SCHEMBL3753570 0.79 MAPK8 (0.41) MAPK8MAPK10GRM5PIM1
SCHEMBL16390733 0.78 SLC6A7 (0.39) MAPK8MAPK10GRM5NOTUMPIM1
SCHEMBL3753552 0.78 CDK1 (0.44) CDK1CDK2MAPK8MAPK10
SCHEMBL16404649 0.77 CDK1 (0.43) CDK1CDK2LRRK2
SCHEMBL3751504 0.76 KMO (0.43) ARCDK1CDK2PDE4D
SCHEMBL3753357 0.75 MAPK10 (0.75) MAPK8MAPK10
SCHEMBL3756786 0.75 CARM1 (0.51) CDK1CDK2MAPK8MAPK10LRRK2

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 AR 3938/4885CDK1 174/4885CDK2 69/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 AR 3938/4885CDK1 174/4885CDK2 69/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 AR 3938/4885CDK1 174/4885CDK2 69/4885

“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.