SCHEMBL16627099

SCHEMBL16627099

Cc1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.43
CCNA2 P20248 10/20 0.43
CCNA1 P78396 10/20 0.43
NR1H2 P55055 1/20 0.41
GSK3B P49841 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PAK4 O96013 6/20 0.39
MAPK1 P28482 1/20 0.39
MARK1 Q9P0L2 1/20 0.39
C5AR1 P21730 1/20 0.37
PRKCB P05771 1/20 0.34

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
SCHEMBL1368936 0.85 CDK2 (0.42) CDK2CCNA2CCNA1NR1H2GSK3B
SCHEMBL1837535 0.76 NR1H2 (0.36) CDK2CCNA2CCNA1NR1H2GSK3B
SCHEMBL22095959 0.76 C5AR1 (0.39) CDK2CCNA2CCNA1NR1H2GSK3B
SCHEMBL3326904 0.74 PRKCB (0.65) CDK2CCNA2CCNA1PAK4PRKCB
SCHEMBL7947109 0.73 NR1H2 (0.36) CDK2CCNA2CCNA1NR1H2C5AR1
SCHEMBL26407436 0.72 NR1H2 (0.35) CDK2CCNA2CCNA1NR1H2C5AR1
SCHEMBL19195046 0.72 NR1H2 (0.38) CDK2CCNA2CCNA1NR1H2GSK3B
SCHEMBL25947656 0.72 CDK2 (0.59) CDK2CCNA2CCNA1GSK3BCDK1
SCHEMBL17878698 0.71 NR1H2 (0.37) CDK2CCNA2CCNA1NR1H2C5AR1
SCHEMBL3327199 0.71 PRKCB (0.53) PAK4PRKCB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518060-B2 Substituted pyrrolo[3,4-c]pyrazoles as PKC kinase inhibitors PFIZER INC. (US) 2016-12-13 US disclosed
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PFIZER INC. 2015-04-09 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 (1 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-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PRKCB, PRKCA, PRKCQ CDK2 133/4885CCNA2 1729/4885CCNA1 1124/4885

“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.