SCHEMBL710269

SCHEMBL710269

Nc1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
BRD4 O60885 1/20 0.45
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
EGFR P00533 1/20 0.41
DBH P09172 1/20 0.40
PLAU P00749 1/20 0.39
PPARG P37231 2/20 0.39
EPHX2 P34913 1/20 0.39
SLC2A1 P11166 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
BACE1 P56817 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL30364561 0.88 HTR6 (0.50) HTR6HTR2CHTR2AEGFRDBH
SCHEMBL5134071 0.81 HTR6 (0.66) HTR6BRD4PLAUSLC2A1APP
SCHEMBL396279 0.81 HTR6 (0.66) HTR6BRD4PLAUSLC2A1APP
SCHEMBL6085996 0.79 HTR6 (0.58) HTR6HTR2CHTR2ADBHPLAU
SCHEMBL31257980 0.79 HTR6 (0.58) HTR6HTR2CHTR2ADBHPLAU
SCHEMBL710139 0.78 HTR2A (0.55) BRD4HTR2CHTR2A
SCHEMBL6257025 0.77 HDAC8 (0.48) HTR6BRD4HTR2CHTR2APLAU
SCHEMBL710538 0.77 HTR6 (0.49) HTR6BRD4HTR2CHTR2AEGFR
SCHEMBL709684 0.76 HTR7 (0.48) BRD4DBHPLAUPPARG
SCHEMBL2768186 0.75 HTR6 (0.58) HTR6HTR2CHTR2AEGFRPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
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
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 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
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 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 (4 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 HTR6 734/4885BRD4 867/4885HTR2C 489/4885
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG HTR6 505/4885BRD4 1065/4885HTR2C 557/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG HTR6 155/4885BRD4 743/4885HTR2C 190/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HTR6 209/4885BRD4 688/4885HTR2C 136/4885

“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.