SCHEMBL3780265

SCHEMBL3780265

Cc1ccncc1N1C(=O)N(C)CC1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
SOST Q9BQB4 1/20 0.36
PDE9A O76083 5/20 0.34
CYP17A1 P05093 6/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
CHRM1 P11229 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL3791879 0.77 ADORA3 (0.40) ADORA3ADORA2ASOSTPDE9ACYP17A1
SCHEMBL3785205 0.75 CYP11B2 (0.47) CHRNB2CHRNA4
SCHEMBL27955255 0.73 ADORA3 (0.34) ADORA3ADORA2APDE9ACYP17A1ARG1
SCHEMBL3777796 0.70 CYP17A1 (0.41) CYP17A1
SCHEMBL17014632 0.68 FLT3 (0.37) ADORA3ADORA2ACYP17A1SIRT3TDP1
SCHEMBL17169564 0.68 FLT3 (0.37) ADORA3ADORA2ACYP17A1SIRT3TDP1
SCHEMBL27955253 0.68 ADORA3 (0.37) ADORA3ADORA2APDE9ACYP17A1ARG1
SCHEMBL14991823 0.65 CYP11B1 (0.65)
SCHEMBL25890536 0.65 PDE9A (0.34) SOSTPDE9AARG1ARG2SIRT3
SCHEMBL18949756 0.64 MAPT (0.54) ARG1ARG2CHRM1SIRT3TDP1

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 4 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
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 ADORA3 1612/4885ADORA2A 4346/4885SOST 4335/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 ADORA3 1612/4885ADORA2A 4346/4885SOST 4335/4885

“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.