SCHEMBL12079459

SCHEMBL12079459

Cc1cc(C#N)ccc1C(=O)Nc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.68
CYP11B1 P15538 2/20 0.68
BRAF P15056 2/20 0.66
SGMS2 Q8NHU3 1/20 0.55
LRRK2 Q5S007 2/20 0.55
NAMPT P43490 5/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.52
CSF1R P07333 1/20 0.52
PPARG P37231 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
SORT1 Q99523 1/20 0.51

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
SCHEMBL13162335 0.90 BRAF (0.76) CYP11B2CYP11B1BRAFSGMS2LRRK2
SCHEMBL8611362 0.85 CYP11B2 (0.67) CYP11B2CYP11B1BRAFSGMS2LRRK2
SCHEMBL13162000 0.83 CYP11B2 (0.76) CYP11B2CYP11B1BRAFLRRK2NAMPT
SCHEMBL21056024 0.82 PPARG (0.72) CYP11B2CYP11B1BRAFSGMS2CSF1R
SCHEMBL13162545 0.82 CYP11B2 (0.64) CYP11B2CYP11B1BRAFSGMS2LRRK2
SCHEMBL21056019 0.82 GRM5 (0.67) CYP11B2CYP11B1BRAFSGMS2LRRK2
SCHEMBL13162002 0.81 CYP11B2 (1.00) CYP11B2CYP11B1BRAFSGMS2NAMPT
SCHEMBL13161988 0.81 CYP11B2 (0.72) CYP11B2CYP11B1BRAFSGMS2LRRK2
SCHEMBL3487444 0.81 CYP11B2 (0.72) CYP11B2CYP11B1BRAFNAMPTNPC1
SCHEMBL13638956 0.81 CYP11B2 (0.62) CYP11B2CYP11B1BRAFSGMS2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS CYP11B2 862/4885CYP11B1 1543/4885BRAF 567/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CYP11B2 2221/4885CYP11B1 2489/4885BRAF 1984/4885

“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.