SCHEMBL3886004

SCHEMBL3886004

CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)OC)sc34)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.70
FGFR1 P11362 1/20 0.60

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
SCHEMBL3880586 0.93 AURKA (0.71) AURKAFGFR1
SCHEMBL3880769 0.91 AURKA (0.80) AURKA
SCHEMBL3882656 0.90 AURKA (0.83) AURKAFGFR1
SCHEMBL4693855 0.90 AURKA (0.86) AURKAFGFR1
SCHEMBL3879467 0.90 AURKA (0.71) AURKAFGFR1
SCHEMBL2417396 0.85 AURKA (0.86) AURKAFGFR1
SCHEMBL3887853 0.83 AURKA (0.81) AURKA
SCHEMBL4696441 0.82 AURKA (1.00) AURKA
SCHEMBL3882164 0.81 AURKA (0.47) AURKAFGFR1
SCHEMBL3886215 0.81 AURKA (0.65) AURKA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 WO 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 AURKA 239/4885FGFR1 636/4885

“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.