SCHEMBL4286554

SCHEMBL4286554

Cc1cc(Nc2nccc(-c3ccc(NC(=O)NC4CC4)cc3)n2)cnc1N1CC2CC1CN2C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.40
JAK2 O60674 8/20 0.40
JAK3 P52333 2/20 0.40
MTOR P42345 3/20 0.40
CDK1 P06493 4/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CG P48736 2/20 0.40
ABL1 P00519 4/20 0.39
BCR P11274 3/20 0.39
STK17A Q9UEE5 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
SCHEMBL4279580 1.00 CDK2 (0.42) CDK2KCNH2AURKBJAK2JAK3
SCHEMBL4277994 0.88 JAK2 (0.41) CDK2JAK2JAK3MTORCDK1
SCHEMBL4281844 0.88 JAK2 (0.41) CDK2JAK2JAK3MTORCDK1
SCHEMBL4281891 0.86 JAK2 (0.50) AURKBJAK2JAK3
SCHEMBL4281839 0.86 JAK2 (0.50) AURKBJAK2JAK3
SCHEMBL4287078 0.83 JAK2 (0.42) JAK2JAK3ABL1BCR
SCHEMBL4279789 0.83 JAK2 (0.42) JAK2JAK3ABL1BCR
SCHEMBL4287754 0.82 JAK2 (0.40) KCNH2JAK2JAK3ABL1BCR
SCHEMBL4278805 0.82 JAK2 (0.40) KCNH2JAK2JAK3ABL1BCR
SCHEMBL4287037 0.81 JAK2 (0.39) KCNH2JAK2JAK3ABL1BCR

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 CDK2 13/4885KCNH2 2389/4885AURKB 135/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 8/4885KCNH2 3103/4885AURKB 117/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK2 6/4885KCNH2 3162/4885AURKB 104/4885

“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.