SCHEMBL7515740

SCHEMBL7515740

Cn1ncc(N)c1C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 4/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.41
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.98 KMT2A (0.46) KMT2AKDM4EHPGDALDH1A1ATM
SCHEMBL7456708 0.95 KMT2A (0.46) KMT2AKDM4EATMPKM
SCHEMBL7514360 0.84 SMN1; SMN2 (0.50) KMT2AKDM4EHPGDALDH1A1ATM
SCHEMBL23880255 0.80 KMT2A (0.50) KMT2AKDM4EHPGDALDH1A1ATM
SCHEMBL7461217 0.78 PDE10A (0.41) KMT2AKDM4ESMN1; SMN2
SCHEMBL7516987 0.78 PDE10A (0.41) KMT2AKDM4EATMPOLBPKM
SCHEMBL7517838 0.78 CCNC (0.42) KMT2AKDM4EATMPOLBPKM
SCHEMBL15401967 0.77 HPGD (0.52) KMT2AHPGDALDH1A1POLBSMN1; SMN2
SCHEMBL26299055 0.77 KMT2A (0.50) KMT2AKDM4EALDH1A1ATMPOLB
SCHEMBL14672263 0.76 POLB (0.47) HPGDPOLB

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 KMT2A 2177/4885KDM4E 2322/4885HPGD 603/4885

“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.