SCHEMBL14736627

SCHEMBL14736627

NCCc1nc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.48
HDAC6 Q9UBN7 13/20 0.48
PDE10A Q9Y233 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
SCHEMBL14736277 0.87 PDE10A (0.48) HDAC1HDAC6PDE10A
SCHEMBL14736372 0.86 PDE10A (0.48) HDAC1HDAC6PDE10A
SCHEMBL14118418 0.84 HDAC1 (0.48) HDAC1HDAC6PDE10A
SCHEMBL14735997 0.81 PDE10A (0.46) HDAC1HDAC6PDE10A
SCHEMBL14736860 0.80 HDAC1 (0.54) HDAC1HDAC6
SCHEMBL11297901 0.80 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL14736136 0.80 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL14736709 0.80 HDAC1 (0.53) HDAC1HDAC6
SCHEMBL14736835 0.79 PDE10A (0.54) PDE10A
Hydrochloric Acid SCHEMBL14736096 0.77 PDE10A (0.53) 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 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 HDAC1 125/4885HDAC6 182/4885PDE10A 1/4885

“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.