SCHEMBL4284565

SCHEMBL4284565

CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3cc[nH]c3)n2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.52
CCND3 P30281 5/20 0.52
GSK3B P49841 5/20 0.52
PIM1 P11309 4/20 0.52
CCNA2 P20248 10/20 0.51
CDK2 P24941 10/20 0.51
CCNA1 P78396 10/20 0.51
MTOR P42345 3/20 0.50
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
AURKA O14965 1/20 0.43
CCNK O75909 1/20 0.43
SLC2A1 P11166 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
SYK P43405 1/20 0.41
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4286133 1.00 CDK4 (0.52) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4282423 0.88 SYK (0.41) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4277303 0.88 SYK (0.41) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4286238 0.84 FGFR4 (0.42) CDK2JAK2JAK3SYK
SCHEMBL4288817 0.84 FGFR4 (0.42) CDK2JAK2JAK3SYK
SCHEMBL4278297 0.83 CCNA2 (0.51) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4285264 0.83 CCNA2 (0.51) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4280866 0.81 CCNA2 (0.53) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4281559 0.81 CCNA2 (0.53) CDK4CCND3GSK3BPIM1CCNA2
SCHEMBL4277448 0.81 CCNA2 (0.46) CDK4CCND3GSK3BPIM1CCNA2

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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 CDK4 845/4885CCND3 2825/4885GSK3B 1181/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK4 274/4885CCND3 826/4885GSK3B 894/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK4 113/4885CCND3 481/4885GSK3B 413/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CDK4 123/4885CCND3 487/4885GSK3B 383/4885

“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.