SCHEMBL4285252

SCHEMBL4285252

CCN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.39
CDK9 P50750 5/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
ACVR1 Q04771 1/20 0.39
MAP3K12 Q12852 1/20 0.38
PAK1 Q13153 1/20 0.38
EGFR P00533 2/20 0.38
BTK Q06187 4/20 0.37
ZAP70 P43403 1/20 0.36
CYP3A4 P08684 1/20 0.36
HRH2 P25021 1/20 0.36
CDK7 P50613 1/20 0.36
CD69 Q07108 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
CDKL2 Q92772 1/20 0.36
RIOK1 Q9BRS2 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36

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
SCHEMBL4279991 1.00 BRD4 (0.39) BRD4CDK9JAK2JAK1TYK2
SCHEMBL4282165 0.90 PAK1 (0.43) BRD4CDK9JAK2JAK1PAK1
SCHEMBL4286098 0.90 PAK1 (0.43) BRD4CDK9JAK2JAK1PAK1
SCHEMBL4286944 0.84 ZAP70 (0.53) JAK2JAK1TYK2ZAP70
SCHEMBL4281623 0.84 ZAP70 (0.53) JAK2JAK1TYK2ZAP70
SCHEMBL4283265 0.81 CDK2 (0.42) BRD4CDK9JAK2JAK1TYK2
SCHEMBL4280945 0.81 CDK2 (0.42) BRD4CDK9JAK2JAK1TYK2
SCHEMBL4287090 0.81 PAK1 (0.44) BRD4CDK9JAK2PAK1EGFR
SCHEMBL4281749 0.81 PAK1 (0.44) BRD4CDK9JAK2PAK1EGFR
SCHEMBL13662003 0.80 BRD4 (0.40) BRD4CDK9ACVR1EGFRBTK

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 BRD4 2051/4885CDK9 1899/4885JAK2 4729/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 251/4885CDK9 59/4885JAK2 1/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 468/4885CDK9 15/4885JAK2 1/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885CDK9 14/4885JAK2 1/4885

“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.