SCHEMBL3783249

SCHEMBL3783249

O=C1NCC=CN1c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.45
CHRNA4 P43681 8/20 0.45
HTT P42858 1/20 0.44
AR P10275 1/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL4537041 0.80 ALOX5 (0.42) ALDH1A1GAAMAPTHSD17B10
SCHEMBL28110878 0.78 MAPT (0.45) CHRNB2CHRNA4HTTAREP300
SCHEMBL13724348 0.72 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28531388 0.72 HTT (0.49) CHRNB2CHRNA4HTTAREP300
SCHEMBL7841985 0.71 MAPT (0.45) CHRNB2CHRNA4HTTAREP300
SCHEMBL3783147 0.71 PDE9A (0.35) CYP11B2MAPT
SCHEMBL6324188 0.70 FAAH (0.38) HTTKAT2BHSD17B10
SCHEMBL3778218 0.69 CHRNB2 (0.51) CHRNB2CHRNA4HTTAREP300
SCHEMBL28194990 0.69 ALDH1A1 (0.50) HTTARALDH1A1GAAMAPT
SCHEMBL24130888 0.68 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3

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-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
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP 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

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 CHRNB2 2702/4885CHRNA4 1820/4885HTT 4268/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CHRNB2 2702/4885CHRNA4 1820/4885HTT 4268/4885

“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.