SCHEMBL4833121

SCHEMBL4833121

CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)nc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 16/20 0.70
▸ AURKB Q96GD4 15/20 0.70
▸ GSK3B P49841 11/20 0.70
▸ SRC P12931 10/20 0.70
▸ AURKC Q9UQB9 1/20 0.70

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
SCHEMBL12430555 0.83 AURKA (1.00) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430982 0.83 AURKB (0.70) AURKAAURKBGSK3BSRCAURKC
SCHEMBL7047559 0.82 AURKA (0.78) AURKAAURKBGSK3BSRCAURKC
SCHEMBL4833901 0.77 AURKA (0.49) AURKAAURKBGSK3BSRCAURKC
SCHEMBL5069306 0.75 AURKB (0.63) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430803 0.75 AURKB (1.00) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12653571 0.75 AURKA (0.70) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430706 0.74 AURKA (0.67) AURKAAURKBGSK3BSRCAURKC
SCHEMBL10294718 0.74 AURKB (0.65) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430817 0.74 AURKB (0.74) AURKAAURKBGSK3BSRCAURKC

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
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — US claimed
EP-1345928-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-02-14 — — EP claimed
US-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 — — US claimed
JP-2004516292-A — — 2004-06-03 — — JP claimed
EP-1345928-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-30 — — US claimed
WO-2002050066-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — WO claimed
US-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — 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 (3 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-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 5/4885GSK3B 3/4885
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKA 2/4885AURKB 5/4885GSK3B 3/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AURKA 2/4885AURKB 5/4885GSK3B 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.

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