SCHEMBL14736835

SCHEMBL14736835

Cn1nc(-c2ccccc2)nc1CCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.54
NR1H3 Q13133 4/20 0.54
NR1H2 P55055 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4C Q9H3R0 2/20 0.45
TDP2 O95551 1/20 0.42
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.40
KMT2A Q03164 3/20 0.39
F2 P00734 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 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
Hydrochloric Acid SCHEMBL14736096 0.98 PDE10A (0.53) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL14736756 0.85 KDM4C (0.43) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL14736530 0.83 PDE10A (0.48) PDE10AALDH1A1KMT2AF2ADORA3
Hydrochloric Acid SCHEMBL14736213 0.82 PDE10A (0.47) PDE10AALDH1A1KMT2AF2LMNA
SCHEMBL9739965 0.82 ADORA3 (0.57) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL21301566 0.81 NR1H3 (0.59) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL9529988 0.81 NR1H3 (0.54) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL14736834 0.80 NR1H2 (0.50) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL2035500 0.79 NR1H3 (0.58) PDE10ANR1H3NR1H2NPC1RAB9A
SCHEMBL14736627 0.79 HDAC1 (0.48) PDE10A

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 PDE10A 1/4885NR1H3 1485/4885NR1H2 1040/4885

“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.