SCHEMBL4282409

SCHEMBL4282409

Cc1cc(Nc2nccc(-c3cncc(C#N)c3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.44
CCNA2 P20248 2/20 0.44
CCNA1 P78396 2/20 0.44
BRD4 O60885 2/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
PRKCA P17252 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ACVR1 Q04771 1/20 0.39
PAK1 Q13153 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KIT P10721 1/20 0.39
JAK2 O60674 1/20 0.38
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
SMG1 Q96Q15 1/20 0.37
CDK4 P11802 1/20 0.37

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
SCHEMBL4283444 1.00 CDK2 (0.44) CDK2CCNA2CCNA1BRD4ABL1
SCHEMBL4278002 0.86 CCNA2 (0.42) CDK2CCNA2CCNA1BRD4PAK1
SCHEMBL4282435 0.86 CCNA2 (0.42) CDK2CCNA2CCNA1BRD4PAK1
SCHEMBL4277934 0.84 JAK2 (0.46) CDK2CCNA2CCNA1BRD4ABL1
SCHEMBL4282049 0.84 JAK2 (0.46) CDK2CCNA2CCNA1BRD4ABL1
SCHEMBL4281083 0.82 BRD4 (0.42) CDK2CCNA2CCNA1BRD4PAK1
SCHEMBL13657918 0.82 BRD4 (0.42) CDK2CCNA2CCNA1BRD4PAK1
SCHEMBL13662000 0.81 BRD4 (0.42) CDK2CCNA2CCNA1BRD4ABL1
SCHEMBL4277303 0.81 SYK (0.41) CDK2CCNA2CCNA1BRD4ACVR1
SCHEMBL4282423 0.81 SYK (0.41) CDK2CCNA2CCNA1BRD4ACVR1

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 CDK2 13/4885CCNA2 308/4885CCNA1 529/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 8/4885CCNA2 273/4885CCNA1 401/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 6/4885CCNA2 291/4885CCNA1 429/4885

“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.