SCHEMBL7517568

SCHEMBL7517568

CCn1ncc(N)c1C(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.39
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAP4K1 Q92918 1/20 0.33

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
SCHEMBL7992220 0.81 ALDH1A1 (0.43) KMT2ATSHRMEN1LMNAGAA
SCHEMBL7455612 0.80 PDE10A (0.43) TSHRLMNAPDE10AMAPK1TDP1
SCHEMBL10922183 0.78 HDAC1 (0.43) KMT2ATSHRMEN1LMNAGAA
SCHEMBL7511119 0.77 LMNA (0.38) KMT2ALMNAPDE10ASMN1; SMN2ALDH1A1
SCHEMBL7515582 0.77 POLB (0.46) KMT2ATSHRMEN1LMNAGAA
SCHEMBL569285 0.77 KDM4E (0.43) KMT2ATSHRMEN1GAAPOLB
SCHEMBL7523606 0.75 POLB (0.42) KMT2ATSHRMEN1LMNAPDE10A
SCHEMBL10916809 0.75 SMN1; SMN2 (0.56) KMT2ATSHRMEN1LMNAGAA
SCHEMBL26076502 0.74 SMN1; SMN2 (0.46) KMT2ATSHRMEN1LMNAMAPK1
SCHEMBL10919451 0.73 KDM4E (0.33) KMT2AKDM4EMAP4K1

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 16 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
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
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
EP-0023707-B1 SUBSTITUTED TETRAAZATRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-30 EP disclosed
EP-0064775-A1 Substituted tetraazatricyclic compounds, process for their preparation and their use Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-11-17 EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 US disclosed
EP-0023707-A1 Substituted tetraazatricyclic compounds, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-02-11 EP 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 2177/4885TSHR 1037/4885MEN1 985/4885

“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.