SCHEMBL14735997

SCHEMBL14735997

NCCc1nc(-c2ccccc2)nn1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
F2 P00734 1/20 0.35
AURKA O14965 1/20 0.34
FLT3 P36888 1/20 0.34
HTT P42858 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PRCP P42785 1/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL14736544 0.83 PDE10A (0.43) PDE10AALDH1A1IRAK4KMT2ADRD2
SCHEMBL14736902 0.83 PDE10A (0.46) PDE10AALDH1A1IRAK4KMT2AMAPT
SCHEMBL14736627 0.81 HDAC1 (0.48) PDE10AHDAC1HDAC6
SCHEMBL14736453 0.80 PDE10A (0.41) PDE10AALDH1A1KMT2AMAPTNPSR1
SCHEMBL14736277 0.76 PDE10A (0.48) PDE10AALDH1A1KMT2ADRD2DRD4
SCHEMBL14736835 0.73 PDE10A (0.54) PDE10AALDH1A1KMT2ANPSR1F2
Hydrochloric Acid SCHEMBL14736096 0.72 PDE10A (0.53) PDE10AALDH1A1KMT2ANPSR1F2
SCHEMBL14736194 0.70 NR1H3 (0.60) PDE10AALDH1A1KMT2ANPSR1F2
SCHEMBL14736372 0.69 PDE10A (0.48) PDE10AHDAC1HDAC6
SCHEMBL14736525 0.69 PDE10A (0.45) PDE10AHRH1ALDH1A1KMT2ADRD2

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 1/4885HRH1 2824/4885ALDH1A1 775/4885

“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.