SCHEMBL916127

SCHEMBL916127

CNc1ccc2c(Sc3ccccc3C#N)cn(Cc3ccccn3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 1/20 0.35
MAP3K8 P41279 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
CFTR P13569 2/20 0.33
BCL6 P41182 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
STK4 Q13043 1/20 0.33

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
SCHEMBL917300 0.85 CYP1A2 (0.40) HPGDALDH1A1MAPTMEN1USP2
SCHEMBL916230 0.84 IMPDH2 (0.40) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL915366 0.81 ALDH1A1 (0.36) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL915683 0.81 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL5511691 0.80 CFTR (0.41) ALDH1A1ARMAP3K8CFTRBCL6
SCHEMBL917623 0.77 F2 (0.36) ALDH1A1MAPTGAAKMT2AAR
SCHEMBL916731 0.75 MAPT (0.38) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL13356827 0.75 SLC6A2 (0.39) HPGDALDH1A1MAPTMEN1USP2
SCHEMBL915997 0.74 SLC6A2 (0.37) HPGDALDH1A1MAPTMEN1GAA
SCHEMBL917251 0.72 ALDH1A1 (0.34) HPGDALDH1A1MAPTMEN1KMT2A

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
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG HPGD 791/4885ALDH1A1 420/4885MAPT 1573/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HPGD 2861/4885ALDH1A1 2340/4885MAPT 4558/4885

“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.