SCHEMBL5069306

SCHEMBL5069306

CC(=O)Nc1ccc(Sc2cnnc(Nc3cc(C)[nH]n3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 15/20 0.63
▸ AURKA O14965 14/20 0.63
▸ SRC P12931 3/20 0.55
▸ GSK3B P49841 3/20 0.55
▸ AURKC Q9UQB9 1/20 0.55
▸ SYK P43405 1/20 0.43

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
SCHEMBL5070928 0.82 AURKB (0.64) AURKBAURKASRCGSK3BAURKC
SCHEMBL12430993 0.78 AURKB (0.69) AURKBAURKASRCGSK3BAURKC
SCHEMBL12430843 0.77 AURKB (1.00) AURKBAURKASRCGSK3BAURKC
SCHEMBL13220986 0.76 AURKB (0.60) AURKBAURKASRCGSK3BAURKC
SCHEMBL12430982 0.75 AURKB (0.70) AURKBAURKASRCGSK3BAURKC
SCHEMBL4833121 0.75 AURKA (0.70) AURKBAURKASRCGSK3BAURKC
SCHEMBL12653571 0.75 AURKA (0.70) AURKBAURKASRCGSK3BAURKC
SCHEMBL3036774 0.75 AURKA (0.59) AURKBAURKASRCGSK3BAURKC
SCHEMBL13220962 0.75 AURKA (0.55) AURKBAURKASRCGSK3BAURKC
SCHEMBL13220964 0.75 AURKB (0.57) AURKBAURKASRCGSK3BAURKC

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-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US claimed
EP-1345929-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors BEBBINGTON DAVID (GB) 2004-08-12 — — US claimed
US-6656939-B2 Anticancer agents; autoimmune diseases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-02 — — US claimed
US-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — US 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-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 7/4885AURKA 2/4885SRC 458/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AURKB 5/4885AURKA 2/4885SRC 429/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 5/4885AURKA 2/4885SRC 450/4885

“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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