SCHEMBL4287754

SCHEMBL4287754

Cc1cc(Nc2nccc(-c3ccc(N)nc3)n2)cnc1N1CC2CC1CN2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK1 P23458 3/20 0.40
CHRNA7 P36544 6/20 0.38
KCNH2 Q12809 6/20 0.38
JAK3 P52333 1/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
BTK Q06187 3/20 0.38
FGFR4 P22455 1/20 0.37
BRD4 O60885 2/20 0.37
CDK9 P50750 1/20 0.37
TYK2 P29597 1/20 0.37
BRDT Q58F21 1/20 0.37
ZAP70 P43403 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4278805 1.00 JAK2 (0.40) JAK2JAK1CHRNA7KCNH2JAK3
SCHEMBL4281091 0.88 JAK2 (0.39) JAK2JAK1CHRNA7KCNH2JAK3
SCHEMBL4287037 0.88 JAK2 (0.39) JAK2JAK1CHRNA7KCNH2JAK3
SCHEMBL4279789 0.86 JAK2 (0.42) JAK2JAK1JAK3ABL1BCR
SCHEMBL4286292 0.86 JAK2 (0.42) JAK2JAK1JAK3FGFR4
SCHEMBL4287078 0.86 JAK2 (0.42) JAK2JAK1JAK3ABL1BCR
SCHEMBL4278442 0.86 JAK2 (0.42) JAK2JAK1JAK3FGFR4
SCHEMBL4279788 0.84 ZAP70 (0.55) JAK2JAK3EGFRZAP70
SCHEMBL4282084 0.84 ZAP70 (0.55) JAK2JAK3EGFRZAP70
SCHEMBL4281844 0.83 JAK2 (0.41) JAK2JAK1JAK3ABL1BCR

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 JAK2 1/4885JAK1 2/4885CHRNA7 4430/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885CHRNA7 4409/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885CHRNA7 4368/4885

“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.