SCHEMBL4286143

SCHEMBL4286143

Cc1cc(Nc2nccc(-c3cnc4[nH]ccc4c3)n2)ccc1N1CC2CC1CN2CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.40
CCNA2 P20248 7/20 0.38
CDK2 P24941 7/20 0.38
CCNA1 P78396 7/20 0.38
BRD4 O60885 1/20 0.37
BRDT Q58F21 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
BTK Q06187 1/20 0.36
CDK4 P11802 3/20 0.36
CCND3 P30281 3/20 0.36
GSK3B P49841 3/20 0.36
PIM1 P11309 2/20 0.36
MTOR P42345 1/20 0.36
ACVR1 Q04771 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35

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
SCHEMBL4287075 1.00 MAP3K12 (0.40) MAP3K12CCNA2CDK2CCNA1BRD4
SCHEMBL4278721 0.89 BRD4 (0.38) CCNA2CDK2CCNA1BRD4BRDT
SCHEMBL4282467 0.89 BRD4 (0.38) CCNA2CDK2CCNA1BRD4BRDT
SCHEMBL4277396 0.88 CHRNA7 (0.45) CCNA2CDK2CCNA1BRD4BRDT
SCHEMBL4281600 0.88 CHRNA7 (0.45) CCNA2CDK2CCNA1BRD4BRDT
SCHEMBL4283102 0.81 ZAP70 (0.50) MAP3K12CDK2JAK2MTOR
SCHEMBL4287840 0.81 ZAP70 (0.50) MAP3K12CDK2JAK2MTOR
SCHEMBL4283925 0.81 STK17A (0.46) MAP3K12BRD4BRDTJAK2JAK1
SCHEMBL4277427 0.81 STK17A (0.46) MAP3K12BRD4BRDTJAK2JAK1
SCHEMBL4279293 0.80 CHRNA7 (0.44) CCNA2CDK2CCNA1JAK2CDK4

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 MAP3K12 52/4885CCNA2 308/4885CDK2 13/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 62/4885CCNA2 273/4885CDK2 8/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 64/4885CCNA2 291/4885CDK2 6/4885

“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.