SCHEMBL5071900

SCHEMBL5071900

CC(=O)Nc1ccc(Sc2cc(Nc3cc(C4CC4)[nH]n3)cnn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.58
SRC P12931 3/20 0.58
GSK3B P49841 2/20 0.58
IGF1R P08069 3/20 0.47
AURKA O14965 7/20 0.44
CCNA2 P20248 8/20 0.42
CDK2 P24941 8/20 0.42
CCNA1 P78396 8/20 0.42
AURKC Q9UQB9 1/20 0.41

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
SCHEMBL5068333 0.84 AURKB (0.64) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL12431001 0.82 AURKB (0.64) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL12430989 0.78 SRC (0.74) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10294768 0.76 AURKB (0.67) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10295014 0.74 AURKB (0.64) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL13221256 0.74 AURKB (0.53) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL12430554 0.73 GSK3B (1.00) AURKBSRCGSK3BAURKAAURKC
SCHEMBL13221255 0.73 AURKB (0.52) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL3037063 0.73 AURKB (0.51) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL4827752 0.73 AURKB (0.51) AURKBSRCGSK3BIGF1RAURKA

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-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 US claimed
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-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 7/4885SRC 458/4885GSK3B 3/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AURKB 5/4885SRC 429/4885GSK3B 4/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 5/4885SRC 450/4885GSK3B 3/4885

“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.