SCHEMBL7456339

SCHEMBL7456339

Nc1cnccc1C(=O)NCC1CCCO1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 5/20 0.54
MCL1 Q07820 1/20 0.54
ROCK2 O75116 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 1/20 0.53
NAMPT P43490 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL13162046 0.84 KMT2A (0.59) MEN1KMT2APOLBMAPTHPGD
SCHEMBL13162030 0.84 KMT2A (0.59) MEN1KMT2APOLBMAPTHPGD
SCHEMBL28728993 0.82 HPGD (0.67) MEN1KMT2APOLBMAPTHPGD
SCHEMBL22573390 0.78 POLB (0.53) MEN1KMT2APOLBMAPTHPGD
SCHEMBL21619301 0.78 HPGD (0.63) MEN1KMT2APOLBHPGDRAB9A
SCHEMBL21619350 0.78 HPGD (0.63) MEN1KMT2APOLBHPGDRAB9A
SCHEMBL16688773 0.78 HPGD (0.63) MEN1KMT2APOLBHPGDRAB9A
SCHEMBL5553367 0.78 HPGD (0.71) MEN1KMT2APOLBMAPTHPGD
SCHEMBL30880779 0.76 POLB (0.69) MEN1KMT2APOLBMAPTHPGD
SCHEMBL22573481 0.76 ALDH1A1 (0.50) MEN1KMT2APOLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP claimed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US claimed
US-8623866-B2 2014-01-07 US claimed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US claimed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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 (1 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A MEN1 985/4885KMT2A 2177/4885POLB 1698/4885

“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.