SCHEMBL4287684

SCHEMBL4287684

Cc1cc(Nc2nccc(-c3ccc(CC(=O)NC4CC4)cc3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
TTK P33981 1/20 0.41
CDK2 P24941 3/20 0.41
KCNH2 Q12809 1/20 0.41
EGFR P00533 1/20 0.40
JAK2 O60674 7/20 0.39
JAK3 P52333 6/20 0.39
JAK1 P23458 4/20 0.39
BRD4 O60885 2/20 0.39
RET P07949 1/20 0.39
TYK2 P29597 1/20 0.39
CDK9 P50750 1/20 0.39
CAMK2D Q13557 1/20 0.39
CDK1 P06493 2/20 0.39
IKBKB O14920 1/20 0.39
PAK1 Q13153 1/20 0.39

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
SCHEMBL4290548 1.00 AURKA (0.43) AURKAAURKBTTKCDK2KCNH2
SCHEMBL14576293 0.92 BRD4 (0.40) CDK2EGFRJAK2JAK3JAK1
SCHEMBL15391059 0.92 BRD4 (0.40) CDK2EGFRJAK2JAK3JAK1
SCHEMBL4287781 0.82 JAK2 (0.43) CDK2JAK2JAK3BRD4CDK9
SCHEMBL4279960 0.82 JAK2 (0.43) CDK2JAK2JAK3BRD4CDK9
SCHEMBL4287681 0.81 BRD4 (0.41) CDK2EGFRJAK2JAK3JAK1
SCHEMBL4290545 0.81 BRD4 (0.41) CDK2EGFRJAK2JAK3JAK1
SCHEMBL4278732 0.81 JAK2 (0.51) EGFRJAK2JAK3BRD4CDK9
SCHEMBL4284327 0.81 JAK2 (0.51) EGFRJAK2JAK3BRD4CDK9
SCHEMBL18721141 0.81 BRD4 (0.44) JAK2JAK3BRD4CDK9CAMK2D

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 9 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
WO-2017007658-A1 A COMBINATION FOR IMMUNE MEDIATED CANCER TREATMENT RIGEL PHARMACEUTICALS, INC. (US) 2017-01-12 WO 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 AURKA 206/4885AURKB 135/4885TTK 229/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 AURKA 128/4885AURKB 117/4885TTK 126/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 AURKA 115/4885AURKB 104/4885TTK 114/4885

“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.