Sugi Predict

Sugi Predict / Compounds / SCHEMBL1977698

SCHEMBL1977698

SCHEMBL1977698

COC(=O)c1c(C)cc(=O)n(N)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HPGD P15428 4/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ GLO1 Q04760 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL1974854 0.83 ALDH1A1 (0.50) CYP3A4HPGDKDM4EALDH1A1HSD17B10
SCHEMBL5528107 0.81 KDM4E (0.53) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL9947686 0.80 ALDH1A1 (0.43) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL1976296 0.72 CYP3A4 (0.40) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL11465593 0.71 HPGD (0.50) CYP3A4HPGDKDM4EALDH1A1HSD17B10
SCHEMBL10073229 0.70 CYP3A4 (0.55) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL1036031 0.69 CYP3A4 (0.59) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL197898 0.67 CYP3A4 (0.81) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL2662948 0.67 CYP3A4 (0.62) CYP3A4ACHEHPGDKDM4EALDH1A1
SCHEMBL70139 0.67 CYP3A4 (0.57) CYP3A4ACHEHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 — — EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 — — WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 — — 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 CYP3A4 859/4885ACHE 1214/4885HPGD 487/4885

“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.