SCHEMBL12430604

SCHEMBL12430604

CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3cccc(OCCCN(C)C)c3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 18/20 0.63
AURKA O14965 16/20 0.63
GSK3B P49841 11/20 0.63
SRC P12931 9/20 0.63
AURKC Q9UQB9 2/20 0.63

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
SCHEMBL2204021 0.88 AURKB (0.47) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430558 0.87 AURKB (0.72) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430560 0.85 AURKB (0.57) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430608 0.84 AURKB (0.66) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430576 0.83 AURKA (0.77) AURKBAURKAGSK3BSRCAURKC
SCHEMBL13054583 0.83 AURKA (0.46) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430555 0.78 AURKA (1.00) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430840 0.77 AURKB (0.70) AURKBAURKAGSK3BSRCAURKC
SCHEMBL18154663 0.76 AURKB (0.60) AURKBAURKAGSK3BSRCAURKC
SCHEMBL12430600 0.76 AURKB (0.80) AURKBAURKAGSK3BSRCAURKC

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-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
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
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 US 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-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
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 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-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA AURKB 7/4885AURKA 3/4885GSK3B 1/4885

“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.