SCHEMBL14974282

SCHEMBL14974282

Cc1nnc(CNc2cc(OC[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.79
NR1I2 O75469 2/20 0.70
CYP2C9 P11712 2/20 0.70
KCNH2 Q12809 2/20 0.64
CYP3A4 P08684 1/20 0.64
SSTR2 P30874 1/20 0.53

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
SCHEMBL14973880 1.00 PDE10A (0.79) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL10086292 1.00 PDE10A (0.79) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL14974101 0.90 PDE10A (0.77) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL14974061 0.90 PDE10A (0.77) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL14974210 0.90 PDE10A (0.77) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL14973824 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL14974302 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL14973825 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9KCNH2CYP3A4
SCHEMBL10086109 0.87 PDE10A (1.00) PDE10ANR1I2CYP2C9KCNH2SSTR2
SCHEMBL10086285 0.83 PDE10A (1.00) PDE10ANR1I2CYP2C9KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP claimed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US claimed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US claimed

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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A PDE10A 4/4885NR1I2 3377/4885CYP2C9 1687/4885

“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.