SCHEMBL4827752

SCHEMBL4827752

CC(=O)Nc1ccc(Sc2cc(OC3CCN(C)CC3)nc(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.51
SRC P12931 2/20 0.51
GSK3B P49841 1/20 0.51
IGF1R P08069 12/20 0.46
AURKA O14965 3/20 0.45
RIPK1 Q13546 1/20 0.42
RET P07949 2/20 0.42

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
SCHEMBL5479776 0.88 AURKB (0.58) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10295009 0.78 AURKA (0.67) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10294969 0.76 AURKA (0.67) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10294768 0.76 AURKB (0.67) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL12431001 0.75 AURKB (0.64) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10295059 0.75 IGF1R (0.59) AURKBSRCIGF1RAURKARIPK1
SCHEMBL13221259 0.74 AURKB (0.49) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL10295014 0.73 AURKB (0.64) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL12430989 0.73 SRC (0.74) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL5071900 0.73 AURKB (0.58) 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 7 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
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-30 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-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 5/4885SRC 369/4885GSK3B 3/4885
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AURKB 5/4885SRC 369/4885GSK3B 3/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AURKB 5/4885SRC 429/4885GSK3B 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.