SCHEMBL4278664

SCHEMBL4278664

Cc1cc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)ccc1N1CC2CC1CN2C1CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.36
CDK9 P50750 13/20 0.36
BRDT Q58F21 1/20 0.36
SYK P43405 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 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
SCHEMBL4280578 1.00 BRD4 (0.36) BRD4CDK9BRDTSYKJAK2
SCHEMBL4284394 0.97 CDK9 (0.36) BRD4CDK9BRDTSYKJAK2
SCHEMBL4285224 0.97 CDK9 (0.36) BRD4CDK9BRDTSYKJAK2
SCHEMBL4284314 0.92 PAK1 (0.39) BRD4CDK9SYKJAK2JAK1
SCHEMBL4291726 0.92 PAK1 (0.39) BRD4CDK9SYKJAK2JAK1
SCHEMBL4284581 0.92 PAK1 (0.39) BRD4CDK9SYKJAK2JAK1
SCHEMBL4277038 0.90 BRD4 (0.37) BRD4CDK9BRDTSYKJAK2
SCHEMBL4284139 0.90 BRD4 (0.37) BRD4CDK9BRDTSYKJAK2
SCHEMBL4278710 0.90 JAK2 (0.36) BRD4CDK9SYKJAK2JAK1
SCHEMBL4290295 0.90 JAK2 (0.36) BRD4CDK9SYKJAK2JAK1

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 BRD4 251/4885CDK9 59/4885BRDT 603/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 468/4885CDK9 15/4885BRDT 1177/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885CDK9 14/4885BRDT 1172/4885

“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.