Sugi Predict

Sugi Predict / Compounds / SCHEMBL342837

SCHEMBL342837

SCHEMBL342837

CN(C)S(=O)(=O)c1cccc(Nc2ncc3cnn(-c4cccc(S(=O)(=O)N(C)C)c4)c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.49
▸ AURKA O14965 3/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CDK5 Q00535 3/20 0.49
▸ DCLK1 O15075 2/20 0.49
▸ PDPK1 O15530 2/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ ROCK2 O75116 2/20 0.49
▸ PRKD3 O94806 2/20 0.49
▸ MAP4K4 O95819 2/20 0.49
▸ EGFR P00533 2/20 0.49
▸ NTRK1 P04629 2/20 0.49
▸ PRKCG P05129 2/20 0.49
▸ LCK P06239 2/20 0.49
▸ FYN P06241 2/20 0.49
▸ LYN P07948 2/20 0.49
▸ RET P07949 2/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ ROS1 P08922 2/20 0.49
▸ FGFR1 P11362 2/20 0.49

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
SCHEMBL13763904 0.78 GSK3A (0.53) CDK1AURKACDK2CDK5DCLK1
SCHEMBL1662594 0.77 CDK2 (0.54) CDK1AURKACDK2CDK5DCLK1
SCHEMBL1355910 0.72 FGFR4 (0.50) CDK1AURKAEGFRFGFR1GSK3B
SCHEMBL1355283 0.72 EIF2AK4 (0.52) AURKAEGFRFGFR1SRCKDR
SCHEMBL1356046 0.71 FLT3 (0.54) CDK1AURKAEGFRFGFR1GSK3B
SCHEMBL10167384 0.71 KDR (0.49) CDK1AURKACDK2CDK5DCLK1
SCHEMBL2431896 0.71 RAB9A (0.52) AURKACDK2CDK5MAP4K4LCK
SCHEMBL13395352 0.71 TNNI3K (0.56) CDK1CDK2EGFRCCNT1CCNB1
SCHEMBL1353635 0.70 EIF2AK4 (0.66) EGFRFGFR1SYKCLK4MAPK1
SCHEMBL3999708 0.69 JAK3 (0.62) CDK1AURKACDK2CDK5DCLK1

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-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-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
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
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — 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 10/4885AURKA 784/4885CDK2 6/4885

“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.