SCHEMBL3881075

SCHEMBL3881075

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NCc5ccc(Cl)cc5)sc34)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.85
NTRK1 P04629 1/20 0.52
INSR P06213 1/20 0.52
IGF1R P08069 1/20 0.52
AURKB Q96GD4 1/20 0.52
ALK Q9UM73 1/20 0.52

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
Hydrochloric Acid SCHEMBL4696619 0.99 AURKA (0.83) AURKANTRK1INSRIGF1RAURKB
SCHEMBL3880426 0.92 AURKA (0.85) AURKANTRK1INSRIGF1RAURKB
SCHEMBL3885418 0.92 AURKA (1.00) AURKA
SCHEMBL3894750 0.91 AURKA (0.84) AURKA
Hydrochloric Acid SCHEMBL4695926 0.91 AURKA (0.83) AURKANTRK1INSRIGF1RAURKB
SCHEMBL3885716 0.91 AURKA (0.84) AURKANTRK1INSRAURKB
Hydrochloric Acid SCHEMBL4698082 0.91 AURKA (0.82) AURKA
SCHEMBL3891858 0.90 AURKA (0.82) AURKANTRK1INSRIGF1RAURKB
SCHEMBL3884212 0.90 AURKA (0.82) AURKA
SCHEMBL3880899 0.88 AURKA (0.78) 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 claimed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP claimed
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

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 239/4885NTRK1 1803/4885INSR 1104/4885

“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.