SCHEMBL342369

SCHEMBL342369

NS(=O)(=O)c1ccc(Nc2ncc3cnn(Cc4cccnc4)c3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.58
CCNT1 O60563 5/20 0.58
CCNB1 P14635 5/20 0.58
CDK9 P50750 5/20 0.58
CA2 P00918 3/20 0.48
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
CDK2 P24941 3/20 0.46
NTRK1 P04629 2/20 0.46
JAK2 O60674 2/20 0.46
AURKA O14965 2/20 0.46
DCLK1 O15075 2/20 0.46
AURKB Q96GD4 2/20 0.46
CDK5 Q00535 2/20 0.46
PDPK1 O15530 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
EGFR P00533 1/20 0.46
PRKCG P05129 1/20 0.46

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
SCHEMBL31299861 0.90 PTGS1 (0.52) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL10167393 0.85 EGFR (0.45) CDK1CCNT1CCNB1CDK9CA2
SCHEMBL15428629 0.83 CDK4 (0.48) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL10167381 0.82 NAMPT (0.54) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL31299871 0.80 PTGS2 (0.49) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL343790 0.79 ABL1 (0.47) EGFRFGFR1SRCKDRSYK
SCHEMBL10167382 0.78 JAK3 (0.48) JAK2TYK2JAK3ALKPTK2
SCHEMBL343368 0.78 CDK4 (0.51) JAK2AURKAEGFRSYKJAK3
SCHEMBL344496 0.77 CDK4 (0.62) CDK1CCNB1CDK7CDK2JAK2
SCHEMBL343544 0.75 MERTK (0.50) JAK2ROCK2JAK3NAMPTIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 CDK1 10/4885CCNT1 549/4885CCNB1 388/4885

“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.