Sugi Predict

Sugi Predict / Compounds / SCHEMBL2203373

SCHEMBL2203373

SCHEMBL2203373

COC(=O)c1ccc(Sc2nc(Nc3cc(C4CC4)n[nH]3)c3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.54
▸ AURKB Q96GD4 13/20 0.54
▸ SRC P12931 10/20 0.54
▸ AURKA O14965 14/20 0.49
▸ AURKC Q9UQB9 1/20 0.47
▸ PDE5A O76074 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2203646 0.91 GSK3B (0.49) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2204737 0.87 GSK3B (0.56) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203637 0.86 AURKA (0.54) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2205912 0.86 AURKB (0.73) GSK3BAURKBSRCAURKAAURKC
SCHEMBL12430551 0.84 AURKB (0.75) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203885 0.84 GSK3B (0.49) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2207199 0.84 AURKA (0.64) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2202837 0.83 AURKA (0.59) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203192 0.83 AURKA (0.52) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203080 0.82 GSK3B (0.66) GSK3BAURKBSRCAURKAAURKC

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4160392-B2 — — 2008-10-01 — — JP claimed
EP-1345926-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
JP-2004517926-A — — 2004-06-17 — — JP claimed
US-6653301-B2 For therapy of cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-11-25 — — US claimed
EP-1345926-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US claimed
WO-2002059111-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-01 — — WO claimed
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 — — US disclosed
EP-2264028-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-22 — — EP disclosed
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 — — US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 — — US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 — — US disclosed
EP-1702920-A1 Pyrazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2006-09-20 — — EP disclosed
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-02-20 — — US disclosed
US-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — US disclosed
WO-2002068415-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-09-06 — — WO disclosed
WO-2002059111-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-01 — — WO disclosed
WO-2002057259-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-25 — — WO disclosed
WO-2002050065-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — WO 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 (5 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-20030004161-A1 Pyrazole compounds useful as protein kinase inhititors AURKC, AURKA, GSKIP GSK3B 4/4885AURKB 6/4885SRC 732/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA GSK3B 1/4885AURKB 7/4885SRC 298/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885AURKB 6/4885SRC 643/4885
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885AURKB 6/4885SRC 499/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885AURKB 4/4885SRC 419/4885

“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.