Sugi Predict

Sugi Predict / Compounds / SCHEMBL3780809

SCHEMBL3780809

SCHEMBL3780809

Cc1ccncc1N1CCN(c2cn(C)c3cccc(C#N)c23)C1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.37
▸ CYP17A1 P05093 10/20 0.36
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ ELANE P08246 2/20 0.33
▸ CMA1 P23946 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 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
SCHEMBL15602933 0.79 SCN9A (0.44) SCN9ACYP17A1SCN5A
SCHEMBL3777318 0.73 NSD2 (0.46) CYP17A1
SCHEMBL3782066 0.72 CYP17A1 (0.43) CYP17A1KEAP1NFE2L2
Trifluoroacetic Acid SCHEMBL3784413 0.71 HTT (0.40) SCN9ACYP17A1SCN5A
SCHEMBL3785696 0.71 CYP17A1 (0.45) CYP17A1
SCHEMBL3788130 0.71 CYP17A1 (0.47) CYP17A1
SCHEMBL3783156 0.71 DRD3 (0.48) CYP17A1
SCHEMBL3788348 0.71 CYP17A1 (0.41) CYP17A1
SCHEMBL3791621 0.69 MEN1 (0.56) SCN9ACYP17A1SCN5A
SCHEMBL27897063 0.68 HDAC1 (0.52) SCN9ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 — — US disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 — — US disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 — — US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 — — US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 — — US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 — — US disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 — — CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 — — US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 — — US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 — — US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 — — US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 — — US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 — — 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 SCN9A 2049/4885CYP17A1 1/4885KEAP1 507/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 SCN9A 2049/4885CYP17A1 1/4885KEAP1 507/4885

“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.