SCHEMBL3760144

SCHEMBL3760144

Clc1nccc(-c2cccc(N3CCOCC3)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.65
JAK2 O60674 5/20 0.56
PIK3CA P42336 1/20 0.55
MAPK8 P45983 4/20 0.54
MAPK10 P53779 4/20 0.54
SMG1 Q96Q15 3/20 0.48
CDK1 P06493 2/20 0.48
CDK2 P24941 2/20 0.48
MAPK9 P45984 1/20 0.46
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
ATR Q13535 1/20 0.45
AKT1 P31749 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
SCHEMBL3761043 0.86 CAMK2D (0.64) CAMK2DJAK2MAPK8MAPK10
SCHEMBL28446714 0.85 JAK2 (0.55) CAMK2DJAK2PIK3CAJAK1TYK2
SCHEMBL3760466 0.84 CAMK2D (0.50) CAMK2DCDK1CDK2
SCHEMBL30826811 0.84 CDK1 (0.62) CAMK2DJAK2PIK3CAMAPK8MAPK10
SCHEMBL2908002 0.84 CDK1 (0.62) CAMK2DJAK2PIK3CAMAPK8MAPK10
SCHEMBL3756786 0.83 CARM1 (0.51) CAMK2DJAK2PIK3CAMAPK8MAPK10
SCHEMBL3748981 0.83 CAMK2D (0.49) CAMK2DJAK2PIK3CAMAPK8MAPK10
SCHEMBL3758812 0.83 MAPK8 (0.56) CAMK2DJAK2PIK3CAMAPK8MAPK10
SCHEMBL21815114 0.81 CAMK2D (0.47) CAMK2DJAK2MAPK8MAPK10
SCHEMBL3748861 0.79 MAPK8 (0.56) CAMK2DJAK2PIK3CAMAPK8MAPK10

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 CAMK2D 385/4885JAK2 150/4885PIK3CA 619/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CAMK2D 385/4885JAK2 150/4885PIK3CA 619/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 CAMK2D 385/4885JAK2 150/4885PIK3CA 619/4885

“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.