SCHEMBL916135

SCHEMBL916135

CNc1ccc2c(Sc3ccccn3)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 5/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 2/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
NPC1 O15118 1/20 0.31
NPY5R Q15761 1/20 0.31
CYP19A1 P11511 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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 0.84 P2RX7 (0.38) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL916132 0.83 KMT2A (0.38) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL916395 0.80 MAPK1 (0.38) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL917262 0.80 GAA (0.37) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL915366 0.79 ALDH1A1 (0.36) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL916153 0.78 POLB (0.43) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL916625 0.77 SLC6A2 (0.39) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL916292 0.77 P2RX3 (0.38) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL917282 0.75 BRD4 (0.36) KMT2AALDH1A1MEN1GAAMAPK1
SCHEMBL916127 0.70 HPGD (0.36) KMT2AALDH1A1MEN1MAPTNPSR1

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 1595/4885ALDH1A1 420/4885MEN1 326/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KMT2A 3473/4885ALDH1A1 2340/4885MEN1 2248/4885

“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.