SCHEMBL7514360

SCHEMBL7514360

Cn1ncc(N)c1C(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.46
PDE10A Q9Y233 4/20 0.44
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.41
LMNA P02545 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
SCHEMBL7515096 0.86 KMT2A (0.46) KDM4EALDH1A1KMT2APDE10AATM
SCHEMBL7456708 0.86 KMT2A (0.46) KDM4EKMT2APDE10AATM
SCHEMBL7515740 0.84 KMT2A (0.45) SMN1; SMN2KDM4EALDH1A1KMT2AATM
SCHEMBL7514693 0.81 LMNA (0.43) SMN1; SMN2ALDH1A1MAPTKMT2APDE10A
SCHEMBL16211920 0.79 PDE10A (0.50) SMN1; SMN2KDM4EALDH1A1MAPTPDE10A
SCHEMBL7461217 0.79 PDE10A (0.41) SMN1; SMN2KDM4EKMT2APDE10A
SCHEMBL1458472 0.78 HTT (0.52) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL7516987 0.76 PDE10A (0.41) KDM4EKMT2APDE10AATMLMNA
SCHEMBL7517838 0.76 CCNC (0.42) KDM4EKMT2APDE10AATML3MBTL1
SCHEMBL9926277 0.73 PDE10A (0.49) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A

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 9 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
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP claimed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO 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 SMN1; SMN2 1370/4885KDM4E 2322/4885ALDH1A1 271/4885

“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.