SCHEMBL4284329

SCHEMBL4284329

Cc1cc(Nc2nccc(-c3ccc(N)nc3)n2)ccc1N1CC2CC1CN2S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
CDK9 P50750 3/20 0.39
EGFR P00533 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
IKBKB O14920 4/20 0.38
JAK2 O60674 7/20 0.37
JAK3 P52333 7/20 0.37
MTOR P42345 1/20 0.37
CAMK2D Q13557 1/20 0.36
DKK1 O94907 1/20 0.36
GSK3B P49841 1/20 0.36
CHUK O15111 2/20 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
SCHEMBL4284103 1.00 BRD4 (0.39) BRD4CDK9EGFRMAPK8MAPK10
SCHEMBL4290529 0.86 EGFR (0.41) BRD4CDK9EGFRJAK2JAK3
SCHEMBL4286530 0.86 EGFR (0.41) BRD4CDK9EGFRJAK2JAK3
SCHEMBL4291719 0.85 ZAP70 (0.52) EGFRJAK2JAK3MTOR
SCHEMBL4278289 0.85 ZAP70 (0.52) EGFRJAK2JAK3MTOR
SCHEMBL4286056 0.84 STK17A (0.43) EGFR
SCHEMBL4280663 0.84 STK17A (0.43) EGFR
SCHEMBL4284700 0.83 EGFR (0.35) BRD4CDK9EGFRMAPK8IKBKB
SCHEMBL4281158 0.83 EGFR (0.35) BRD4CDK9EGFRMAPK8IKBKB
SCHEMBL4287660 0.83 TYK2 (0.46) BRD4CDK9EGFRJAK2CAMK2D

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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 59/4885EGFR 795/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 468/4885CDK9 15/4885EGFR 494/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885CDK9 14/4885EGFR 501/4885

“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.