SCHEMBL3787151

SCHEMBL3787151

N#Cc1ccc2[nH]c(N3CCN(c4ccccc4)C3=O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK10 P53779 4/20 0.43
NPY5R Q15761 3/20 0.42
KCNH2 Q12809 3/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
ADRA1A P35348 1/20 0.40
TDP2 O95551 1/20 0.39
CTSG P08311 2/20 0.38
CMA1 P23946 2/20 0.38
CYP19A1 P11511 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL7962503 0.91 NPY5R (0.52) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL3791087 0.82 NPC1 (0.47) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7962507 0.75 NPY5R (0.60) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7969172 0.75 NPC1 (0.53) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL10140665 0.73 MEN1 (0.45) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7970001 0.72 GFER (0.56) MEN1NPC1RAB9AKMT2ANPY5R
SCHEMBL7973223 0.72 NPY5R (0.62) NPY5RKCNH2ADRA1A
SCHEMBL7973969 0.71 CHEK2 (0.57) NPY5R
SCHEMBL7976233 0.70 PRSS1 (0.52) NPY5R
SCHEMBL5786778 0.68 NPY5R (0.85) NPY5R

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-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US claimed
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-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 MEN1 2911/4885NPC1 701/4885RAB9A 3182/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 MEN1 2911/4885NPC1 701/4885RAB9A 3182/4885

“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.