SCHEMBL14736725

SCHEMBL14736725

Cn1nc(-c2ccncc2)nc1CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
PDE10A Q9Y233 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 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
SCHEMBL14736756 0.75 KDM4C (0.43) PDE10AKDM4C
SCHEMBL4633333 0.73 GRM5 (0.66) HSD17B10KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14736166 0.68 TSHR (0.47) PKMPDE10AHSD17B10KMT2AMAPK1
SCHEMBL1677739 0.67 TDP1 (0.66) PKMALDH1A1L3MBTL1
SCHEMBL14736835 0.67 PDE10A (0.54) PDE10AKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL9739965 0.66 ADORA3 (0.57) PDE10A
Hydrochloric Acid SCHEMBL14736096 0.66 PDE10A (0.53) PDE10AKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11590621 0.65 NR1H3 (0.83) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL9529988 0.65 NR1H3 (0.54) PDE10A
SCHEMBL21301566 0.65 NR1H3 (0.59) PDE10AHSD17B10KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PKM 916/4885PDE10A 1/4885HSD17B10 564/4885

“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.