SCHEMBL916132

SCHEMBL916132

NCc1ccc2c(Sc3ccccn3)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 7/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.35
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
SERPINE1 P05121 1/20 0.32
CYP19A1 P11511 3/20 0.32
NTRK1 P04629 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NFATC1 O95644 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL711222 0.83 P2RX7 (0.38) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL916135 0.83 KMT2A (0.35) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL917261 0.79 MEN1 (0.38) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL916624 0.76 PDE7A (0.40) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL917282 0.75 BRD4 (0.36) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL916281 0.69 PDE7A (0.39) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL915772 0.69 KMT2A (0.45) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL916099 0.68 PDE7A (0.37) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL916794 0.66 CYP1A2 (0.41) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13356746 0.66 SLC6A2 (0.46) KMT2AMEN1POLBALDH1A1MAPT

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 KMT2A 1595/4885MEN1 326/4885POLB 4152/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KMT2A 3473/4885MEN1 2248/4885POLB 3139/4885

“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.