SCHEMBL3784491

SCHEMBL3784491

Cc1ccncc1N1C=CCN(c2ccc3ccccc3c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.49
MAPK10 P53779 7/20 0.39
MAPK9 P45984 6/20 0.39
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3789501 0.80 CYP17A1 (0.69) CYP17A1
SCHEMBL3782338 0.79 CYP17A1 (0.42) CYP17A1MAPK10MAPK9RAB9AALDH1A1
SCHEMBL3784493 0.78 CYP17A1 (0.64) CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL3783011 0.68 CYP17A1 (0.54) CYP17A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3782195 0.67 CYP17A1 (0.53) CYP17A1
SCHEMBL3788582 0.67 CYP17A1 (0.53) CYP17A1ALDH1A1GAAMAPT
SCHEMBL3787124 0.66 CYP17A1 (0.51) CYP17A1
SCHEMBL13737018 0.66 CYP17A1 (1.00) CYP17A1
SCHEMBL3784171 0.66 HDAC1 (0.54) CYP17A1
SCHEMBL3783147 0.66 PDE9A (0.35) CYP17A1MAPT

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 CYP17A1 1/4885MAPK10 3443/4885MAPK9 3368/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CYP17A1 1/4885MAPK10 3443/4885MAPK9 3368/4885

“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.