SCHEMBL2205693

SCHEMBL2205693

Cc1cc(Nc2nc(Sc3ccccc3O)nc3ccccc23)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.57
GSK3B P49841 17/20 0.57
AURKB Q96GD4 14/20 0.57
SRC P12931 10/20 0.51
AURKC Q9UQB9 1/20 0.45

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
SCHEMBL2205515 0.89 AURKA (0.72) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2203175 0.88 AURKA (0.56) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2206175 0.87 AURKA (0.55) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2205907 0.86 AURKA (0.67) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2203023 0.86 AURKA (0.71) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2203222 0.86 AURKA (0.73) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2204682 0.84 AURKA (0.73) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2205463 0.84 AURKA (0.52) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2204915 0.83 AURKA (0.71) AURKAGSK3BAURKBSRCAURKC
SCHEMBL2206767 0.82 AURKA (0.60) AURKAGSK3BAURKBSRCAURKC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4160392-B2 2008-10-01 JP claimed
CN-100408573-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2008-08-06 CN 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
CN-1486311-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-03-31 CN 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

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-20030078275-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885GSK3B 3/4885AURKB 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.