SCHEMBL4282420

SCHEMBL4282420

Cc1cc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)ccc1N1C[C@@H]2C[C@H]1CN2S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
BRD4 O60885 8/20 0.34
PAK1 Q13153 1/20 0.34
CDK9 P50750 4/20 0.34
SYK P43405 1/20 0.34
MTOR P42345 3/20 0.33
JAK2 O60674 1/20 0.33
CDK2 P24941 4/20 0.33
CDK1 P06493 2/20 0.33
SMG1 Q96Q15 2/20 0.33
EGFR P00533 2/20 0.33
ACVR1 Q04771 1/20 0.33
CDK4 P11802 1/20 0.32

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
SCHEMBL4284707 1.00 JAK3 (0.38) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4276992 0.94 JAK3 (0.35) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4289327 0.94 JAK3 (0.35) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4291726 0.90 PAK1 (0.39) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4284581 0.90 PAK1 (0.39) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4284314 0.90 PAK1 (0.39) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4280578 0.88 BRD4 (0.36) JAK1BRD4CDK9SYKJAK2
SCHEMBL4278664 0.88 BRD4 (0.36) JAK1BRD4CDK9SYKJAK2
SCHEMBL4278710 0.88 JAK2 (0.36) JAK3JAK1BRD4PAK1CDK9
SCHEMBL4280606 0.88 BRD4 (0.39) BRD4CDK9CDK2

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 JAK3 4792/4885JAK1 4796/4885BRD4 2051/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK1 2/4885BRD4 251/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK1 2/4885BRD4 468/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK3 3/4885JAK1 2/4885BRD4 535/4885

“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.