SCHEMBL4282423

SCHEMBL4282423

Cc1cc(Nc2nccc(-c3cc[nH]c3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
BRD4 O60885 5/20 0.39
CDK9 P50750 2/20 0.39
PIM1 P11309 2/20 0.39
CDK4 P11802 2/20 0.39
CCND3 P30281 2/20 0.39
GSK3B P49841 2/20 0.39
PAK1 Q13153 1/20 0.39
BRDT Q58F21 1/20 0.38
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
CCNA1 P78396 5/20 0.38
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 2/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 1/20 0.38
ACVR1 Q04771 1/20 0.37
MTOR P42345 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
SCHEMBL4277303 1.00 SYK (0.41) SYKBRD4CDK9PIM1CDK4
SCHEMBL4286133 0.88 CDK4 (0.52) SYKPIM1CDK4CCND3GSK3B
SCHEMBL4284565 0.88 CDK4 (0.52) SYKPIM1CDK4CCND3GSK3B
SCHEMBL4288817 0.87 FGFR4 (0.42) SYKCDK2JAK2JAK3
SCHEMBL4286238 0.87 FGFR4 (0.42) SYKCDK2JAK2JAK3
SCHEMBL4281058 0.86 CHRNA7 (0.55) SYKBRD4CDK9BRDTCHRNA7
SCHEMBL4276769 0.86 CHRNA7 (0.55) SYKBRD4CDK9BRDTCHRNA7
SCHEMBL4277396 0.85 CHRNA7 (0.45) SYKBRD4CDK9PAK1BRDT
SCHEMBL4281600 0.85 CHRNA7 (0.45) SYKBRD4CDK9PAK1BRDT
SCHEMBL4281083 0.84 BRD4 (0.42) BRD4CDK9PIM1CDK4CCND3

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 SYK 36/4885BRD4 251/4885CDK9 59/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 39/4885BRD4 468/4885CDK9 15/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 46/4885BRD4 535/4885CDK9 14/4885

“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.