Sugi Predict

Sugi Predict / Compounds / SCHEMBL2202075

SCHEMBL2202075

SCHEMBL2202075

Cc1cc(Nc2nc(Sc3ccc(C(=O)NCCCN(C)C)cc3)nc3ccccc23)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ GSK3B P49841 12/20 0.49
▸ AURKB Q96GD4 11/20 0.49
▸ SRC P12931 9/20 0.49
▸ AURKA O14965 12/20 0.46
▸ AURKC Q9UQB9 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL2203898 0.95 GSK3B (0.50) HTTGSK3BAURKBSRCAURKA
SCHEMBL12430599 0.87 GSK3B (0.66) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203855 0.83 AURKA (0.56) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2204183 0.82 HPGDS (0.51) HTTGSK3BAURKBSRCAURKA
SCHEMBL2203545 0.82 AURKB (0.60) GSK3BAURKBSRCAURKAAURKC
SCHEMBL12430596 0.82 GSK3B (0.68) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203908 0.81 GSK3B (0.51) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203637 0.81 AURKA (0.54) GSK3BAURKBSRCAURKAAURKC
SCHEMBL7153044 0.81 AURKA (0.53) GSK3BAURKBSRCAURKAAURKC
SCHEMBL2203406 0.80 AURKA (0.64) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345926-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-6653301-B2 For therapy of cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-11-25 — — US claimed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US 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-7087603-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-08-08 — — US disclosed
EP-1345926-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP disclosed
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-06-05 — — US disclosed
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US 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 (6 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 HTT 3672/4885GSK3B 4/4885AURKB 6/4885
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA HTT 3325/4885GSK3B 1/4885AURKB 7/4885
US-20030055068-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B HTT 4202/4885GSK3B 3/4885AURKB 6/4885
US-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B HTT 4184/4885GSK3B 3/4885AURKB 6/4885
US-20030105090-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, GSK3B, AURKA HTT 4228/4885GSK3B 2/4885AURKB 6/4885
US-20030036543-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B HTT 3575/4885GSK3B 3/4885AURKB 4/4885

“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.