SCHEMBL4281083

SCHEMBL4281083

Cc1cc(Nc2nccc(-c3ccc(Cl)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
CDK9 P50750 3/20 0.42
CDK4 P11802 2/20 0.42
CCND3 P30281 2/20 0.42
GSK3B P49841 2/20 0.42
PIM1 P11309 1/20 0.42
MTOR P42345 1/20 0.42
PAK1 Q13153 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
CHRNA7 P36544 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL13657918 1.00 BRD4 (0.42) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL13662000 0.90 BRD4 (0.42) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL4290632 0.89 CDK2 (0.42) BRD4CDK2CDK9CDK4MTOR
SCHEMBL4277420 0.89 CDK2 (0.42) BRD4CDK2CDK9CDK4MTOR
SCHEMBL4286098 0.89 PAK1 (0.43) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL4282165 0.89 PAK1 (0.43) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL4282435 0.88 CCNA2 (0.42) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL4278002 0.88 CCNA2 (0.42) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL4290612 0.87 PAK1 (0.42) BRD4CCNA2CDK2CCNA1CDK9
SCHEMBL4281635 0.87 PAK1 (0.42) BRD4CCNA2CDK2CCNA1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 251/4885CCNA2 308/4885CDK2 13/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 468/4885CCNA2 273/4885CDK2 8/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885CCNA2 291/4885CDK2 6/4885

“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.