SCHEMBL4285217

SCHEMBL4285217

CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.36
TYK2 P29597 4/20 0.36
BRD4 O60885 5/20 0.34
CDK9 P50750 4/20 0.34
SYK P43405 2/20 0.34
CCNT1 O60563 1/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
BCR P11274 1/20 0.34
PDGFRA P16234 1/20 0.34
JAK1 P23458 4/20 0.33
JAK2 O60674 3/20 0.33
BTK Q06187 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL4285396 1.00 MAP3K12 (0.36) MAP3K12TYK2BRD4CDK9SYK
SCHEMBL4279790 0.93 TYK2 (0.40) TYK2JAK1JAK2PIN1
SCHEMBL4287096 0.93 TYK2 (0.40) TYK2JAK1JAK2PIN1
SCHEMBL4284581 0.92 PAK1 (0.39) TYK2BRD4CDK9SYKCCNA2
SCHEMBL4291726 0.92 PAK1 (0.39) TYK2BRD4CDK9SYKCCNA2
SCHEMBL4284314 0.92 PAK1 (0.39) TYK2BRD4CDK9SYKCCNA2
SCHEMBL4278664 0.90 BRD4 (0.36) TYK2BRD4CDK9SYKJAK1
SCHEMBL4280578 0.90 BRD4 (0.36) TYK2BRD4CDK9SYKJAK1
SCHEMBL4278710 0.89 JAK2 (0.36) MAP3K12TYK2BRD4CDK9SYK
SCHEMBL4282466 0.89 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 MAP3K12 3290/4885TYK2 4841/4885BRD4 2051/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 52/4885TYK2 4/4885BRD4 251/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 62/4885TYK2 4/4885BRD4 468/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 64/4885TYK2 4/4885BRD4 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.