SCHEMBL916444

SCHEMBL916444

Nc1ccc2ccn(Cc3ccccn3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
SLC2A1 P11166 1/20 0.51
HTR6 P50406 2/20 0.47
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
TLR7 Q9NYK1 8/20 0.42
KCNH2 Q12809 2/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL31661504 0.89 SLC2A1 (0.54) BRD4SLC2A1HTR6CYP1A2CYP2C9
SCHEMBL3507524 0.89 SLC2A1 (0.54) BRD4SLC2A1HTR6CYP1A2CYP2C9
SCHEMBL29928879 0.82 CDK4 (0.53) BRD4SLC2A1HTR6BRD2BRD3
SCHEMBL11225244 0.82 CDK4 (0.53) BRD4SLC2A1HTR6BRD2BRD3
SCHEMBL4203272 0.80 SLC2A1 (0.48) BRD4SLC2A1BRD2BRD3CYP1A2
SCHEMBL917196 0.78 BRD4 (0.51) BRD4SLC2A1BRD2BRD3CYP1A2
SCHEMBL396279 0.77 HTR6 (0.66) BRD4SLC2A1HTR6
SCHEMBL5134071 0.77 HTR6 (0.66) BRD4SLC2A1HTR6
Hydrochloric Acid SCHEMBL19896389 0.77 L3MBTL1 (0.47) BRD4SLC2A1CYP1A2CYP2C9CYP2C19
SCHEMBL12359735 0.76 HTR6 (0.39) BRD4HTR6BRD2BRD3HTR2A

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-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 BRD4 867/4885SLC2A1 1674/4885HTR6 734/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885SLC2A1 1766/4885HTR6 209/4885

“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.