SCHEMBL4284394

SCHEMBL4284394

Cc1cc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)ccc1N1CC2CC1CN2C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.36
CDK2 P24941 1/20 0.36
BRD4 O60885 13/20 0.35
SYK P43405 1/20 0.34
BRDT Q58F21 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
BTK Q06187 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL4285224 1.00 CDK9 (0.36) CDK9CDK2BRD4SYKBRDT
SCHEMBL4278664 0.97 BRD4 (0.36) CDK9BRD4SYKBRDTJAK2
SCHEMBL4280578 0.97 BRD4 (0.36) CDK9BRD4SYKBRDTJAK2
SCHEMBL4284314 0.91 PAK1 (0.39) CDK9CDK2BRD4SYKJAK2
SCHEMBL4284581 0.91 PAK1 (0.39) CDK9CDK2BRD4SYKJAK2
SCHEMBL4291726 0.91 PAK1 (0.39) CDK9CDK2BRD4SYKJAK2
SCHEMBL4290295 0.88 JAK2 (0.36) CDK9BRD4SYKJAK2JAK1
SCHEMBL4280606 0.88 BRD4 (0.39) CDK9CDK2BRD4
SCHEMBL4278710 0.88 JAK2 (0.36) CDK9BRD4SYKJAK2JAK1
SCHEMBL4282466 0.88 BRD4 (0.39) CDK9CDK2BRD4

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 CDK9 59/4885CDK2 13/4885BRD4 251/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK9 15/4885CDK2 8/4885BRD4 468/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK9 14/4885CDK2 6/4885BRD4 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.