SCHEMBL916893

SCHEMBL916893

CNc1ccc2ccn([Si](C(C)C)(C(C)C)C(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
MAPT P10636 2/20 0.40
EGFR P00533 2/20 0.35
PIM3 Q86V86 2/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL16937932 0.78 HTR2A (0.49) MAPTEGFR
SCHEMBL917628 0.77 PRKCI (0.41) HTR6MAPT
SCHEMBL29958009 0.77 HTR2C (0.50) MAPT
SCHEMBL12544395 0.77 HTR2C (0.50) MAPT
SCHEMBL12127749 0.75 APP (0.43) EGFR
SCHEMBL15024920 0.73 HTR6 (0.46) HTR6
SCHEMBL29236 0.72 SLC6A2 (0.41)
SCHEMBL3427242 0.72 CYP2A6 (0.50) HTR6MAPTEGFR
SCHEMBL30720057 0.72 CYP2A6 (0.50) HTR6MAPTEGFR
SCHEMBL28678513 0.71 HTR2C (0.49) HTR6MAPT

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-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 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
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

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 HTR6 734/4885MAPT 1573/4885EGFR 1442/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HTR6 209/4885MAPT 4558/4885EGFR 507/4885

“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.