SCHEMBL4284403

SCHEMBL4284403

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cncc(S(C)(=O)=O)c3)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.44
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
CDK2 P24941 5/20 0.42
CCNA2 P20248 4/20 0.42
CCNA1 P78396 4/20 0.42
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
FGFR4 P22455 1/20 0.40
JAK3 P52333 1/20 0.39
ACVR1 Q04771 1/20 0.38
EGFR P00533 2/20 0.38
BRD4 O60885 1/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNB2 O95067 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ABL1 P00519 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
SCHEMBL4290599 1.00 PAK1 (0.44) PAK1JAK2JAK1CDK2CCNA2
SCHEMBL4282049 0.91 JAK2 (0.46) PAK1JAK2JAK1CDK2CCNA2
SCHEMBL4277934 0.91 JAK2 (0.46) PAK1JAK2JAK1CDK2CCNA2
SCHEMBL4281559 0.90 CCNA2 (0.53) JAK2JAK1CDK2CCNA2CCNA1
SCHEMBL4280866 0.90 CCNA2 (0.53) JAK2JAK1CDK2CCNA2CCNA1
SCHEMBL4277941 0.85 JAK2 (0.51) JAK2IKBKBCHUKJAK3MAPK8
SCHEMBL4290902 0.85 JAK2 (0.51) JAK2IKBKBCHUKJAK3MAPK8
SCHEMBL4276996 0.84 JAK2 (0.43) PAK1JAK2CDK2CCNA2CCNA1
SCHEMBL4283469 0.84 JAK2 (0.43) PAK1JAK2CDK2CCNA2CCNA1
SCHEMBL4281749 0.81 PAK1 (0.44) PAK1JAK2CDK2CCNA2CCNA1

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-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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 PAK1 2246/4885JAK2 4729/4885JAK1 4796/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 687/4885JAK2 1/4885JAK1 2/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 461/4885JAK2 1/4885JAK1 2/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 458/4885JAK2 1/4885JAK1 2/4885

“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.