SCHEMBL92871

SCHEMBL92871

CN1C(=O)C(=O)NC[C@H]1CN

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
P4HB P07237 1/20 0.31
ATM Q13315 2/20 0.31
HTT P42858 1/20 0.30
PLCG1 P19174 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7486767 0.71 P2RX7 (0.35) MAPTKMT2AMEN1
SCHEMBL15066985 0.67 GLA (0.34) GLATDP1
SCHEMBL21711071 0.67 GLA (0.34) GLATDP1
SCHEMBL4058771 0.64 GLA (0.41) GLATDP1KMT2AMEN1
SCHEMBL2037197 0.64 P2RX7 (0.32)
SCHEMBL12961208 0.63 MAPT (0.36) MAPTHTT
SCHEMBL3507512 0.61
SCHEMBL30836750 0.61
SCHEMBL1587366 0.61
SCHEMBL20585233 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-07-26 US disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 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 (2 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-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 GLA 1640/4885TDP1 2098/4885MAPT 1700/4885
US-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS CYP3A5, GDI2, HDAC5 GLA 189/4885TDP1 2967/4885MAPT 2116/4885

“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.