SCHEMBL4280000

SCHEMBL4280000

Cc1cc(Nc2nccc(-c3ccc(C(C)(C)C)cc3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.43
CCNA2 P20248 5/20 0.43
CCNA1 P78396 5/20 0.43
BRD4 O60885 5/20 0.42
CDK9 P50750 3/20 0.42
CDK4 P11802 3/20 0.42
GSK3B P49841 3/20 0.42
PIM1 P11309 2/20 0.42
CCND3 P30281 2/20 0.42
BTK Q06187 2/20 0.42
PAK1 Q13153 1/20 0.40
EGFR P00533 1/20 0.39
SYK P43405 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL4279946 1.00 CDK2 (0.43) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4290386 0.92 CDK2 (0.49) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4284710 0.92 CDK2 (0.49) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4277838 0.87 CAMK2D (0.44) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4279978 0.87 CAMK2D (0.44) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4287781 0.87 JAK2 (0.43) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4279960 0.87 JAK2 (0.43) CDK2CCNA2CCNA1BRD4CDK9
SCHEMBL4284327 0.86 JAK2 (0.51) BRD4CDK9EGFR
SCHEMBL4278732 0.86 JAK2 (0.51) BRD4CDK9EGFR
SCHEMBL4281083 0.85 BRD4 (0.42) CDK2CCNA2CCNA1BRD4CDK9

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