SCHEMBL14736277

SCHEMBL14736277

NCCc1nc(-c2ccccc2)nn1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
HSD11B1 P28845 1/20 0.41
F2 P00734 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHRNA7 P36544 1/20 0.40
F12 P00748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14736627 0.87 HDAC1 (0.48) PDE10AHDAC1HDAC6
SCHEMBL14736465 0.84 PDE10A (0.47) PDE10AHSD11B1F2HSD17B10NPC1
SCHEMBL14736303 0.84 PDE10A (0.45) PDE10AHSD11B1F2HSD17B10NPC1
SCHEMBL14736489 0.84 PDE10A (0.48) PDE10AHSD11B1F2HSD17B10HDAC1
SCHEMBL14736542 0.81 PDE10A (0.43) PDE10AHSD11B1NPC1RAB9AHDAC1
SCHEMBL14735997 0.76 PDE10A (0.46) PDE10AF2NPC1RAB9AHDAC1
SCHEMBL14736372 0.75 PDE10A (0.48) PDE10AHDAC1HDAC6
SCHEMBL14736530 0.74 PDE10A (0.48) PDE10AF2HSD17B10CHRNA7F12
Hydrochloric Acid SCHEMBL14736213 0.73 PDE10A (0.47) PDE10AF2HSD17B10CHRNA7F12
SCHEMBL27962036 0.73 NPC1 (0.43) PDE10AF2NPC1RAB9AF12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
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
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 PDE10A 1/4885HSD11B1 165/4885F2 3318/4885

“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.