SCHEMBL14736756

SCHEMBL14736756

Cn1nc(-c2ccncc2)nc1CCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
PDE10A Q9Y233 5/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
PRKCI P41743 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
AOC3 Q16853 2/20 0.37
HRH4 Q9H3N8 1/20 0.35
EGFR P00533 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL14736835 0.85 PDE10A (0.54) KDM4CPDE10ALOXL2NPC1RAB9A
Hydrochloric Acid SCHEMBL14736096 0.84 PDE10A (0.53) KDM4CPDE10ALOXL2NPC1RAB9A
SCHEMBL14736530 0.82 PDE10A (0.48) PDE10AF12
Hydrochloric Acid SCHEMBL14736213 0.81 PDE10A (0.47) PDE10AF12
SCHEMBL14736779 0.80 KDM4C (0.44) KDM4CPDE10APRKCINPC1RAB9A
SCHEMBL14736725 0.75 PKM (0.46) KDM4CPDE10A
SCHEMBL11590519 0.72 NR1H3 (0.69) KDM4CNPC1RAB9ANR1H2NR1H3
SCHEMBL19228891 0.70 TDP2 (0.47) PDE10ANPC1RAB9ANR1H2NR1H3
SCHEMBL19231229 0.68 TDP2 (0.49) PDE10ANPC1RAB9AAOC3HRH4
SCHEMBL9739965 0.68 ADORA3 (0.57) PDE10ANPC1RAB9ANR1H2NR1H3

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 7 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
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 KDM4C 1961/4885PDE10A 1/4885LOXL2 3353/4885

“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.