SCHEMBL13633534

SCHEMBL13633534

COC(=O)CC(CN=[N+]=[N-])NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CTSK P43235 9/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ATM Q13315 1/20 0.34
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.33
CTSS P25774 2/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL29778323 1.00 CYP2D6 (0.40) CYP2D6CA2CA1CA7CTSK
SCHEMBL31295342 0.93 CYP2D6 (0.47) CYP2D6CA2CA1CA7CTSK
SCHEMBL15074960 0.93 CYP2D6 (0.47) CYP2D6CA2CA1CA7CTSK
SCHEMBL25658173 0.88 CA1 (0.42) CYP2D6CA2CA1CA7CTSK
SCHEMBL16285838 0.88 CYP2D6 (0.39) CYP2D6CA2CA1CA7CTSK
SCHEMBL16285831 0.88 CYP2D6 (0.39) CYP2D6CA2CA1CA7CTSK
SCHEMBL17294123 0.87 CASP1 (0.41) CYP2D6CA2CA1CA7CTSK
SCHEMBL13633494 0.87 CASP1 (0.41) CYP2D6CA2CA1CA7CTSK
SCHEMBL15071354 0.87 CA1 (0.38) CYP2D6CA2CA1CA7CTSK
SCHEMBL21480838 0.86 CA2 (0.35) CYP2D6CA2CA1CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 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-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 CYP2D6 1003/4885CA2 2121/4885CA1 4431/4885

“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.