SCHEMBL4285264

SCHEMBL4285264

CN(C)c1ccc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)c(C(F)(F)F)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.51
CDK2 P24941 10/20 0.51
CCNA1 P78396 10/20 0.51
CDK4 P11802 5/20 0.49
CCND3 P30281 5/20 0.49
GSK3B P49841 5/20 0.49
PIM1 P11309 4/20 0.49
MTOR P42345 3/20 0.47
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
AURKA O14965 1/20 0.42
CCNK O75909 1/20 0.42
SLC2A1 P11166 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
BTK Q06187 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL4278297 1.00 CCNA2 (0.51) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4287090 0.89 PAK1 (0.44) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4281749 0.89 PAK1 (0.44) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4282165 0.88 PAK1 (0.43) CCNA2CDK2CCNA1JAK2JAK3
SCHEMBL4286098 0.88 PAK1 (0.43) CCNA2CDK2CCNA1JAK2JAK3
SCHEMBL4284740 0.85 FGFR4 (0.43) JAK2JAK3
SCHEMBL4286131 0.85 FGFR4 (0.43) JAK2JAK3
SCHEMBL4286112 0.84 JAK2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4284726 0.84 JAK2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4277307 0.84 CCNA2 (0.48) CCNA2CDK2CCNA1CDK4CCND3

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 CCNA2 308/4885CDK2 13/4885CCNA1 529/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CCNA2 273/4885CDK2 8/4885CCNA1 401/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CCNA2 291/4885CDK2 6/4885CCNA1 429/4885

“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.