SCHEMBL901395

SCHEMBL901395

Cc1ccc([C@H]2C[C@@H]2CCc2cc(NCC(C)(C)O)n3nccc3n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.44
NR1I2 O75469 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CDK2 P24941 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNH P51946 1/20 0.37

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
SCHEMBL14974476 1.00 PDE10A (0.44) PDE10ANR1I2CYP2C9PRKAB2PRKAG1
SCHEMBL19281172 0.80 PDE10A (0.40) PDE10ANR1I2CYP2C9
SCHEMBL19288428 0.80 PRKAB2 (0.48) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14974252 0.72 PDE10A (0.72) PDE10ANR1I2CYP2C9
SCHEMBL901318 0.72 PDE10A (0.72) PDE10ANR1I2CYP2C9
SCHEMBL19281171 0.69 PDE10A (0.69) PDE10ANR1I2CYP2C9
SCHEMBL14973890 0.69 PDE10A (0.69) PDE10ANR1I2CYP2C9
SCHEMBL14974475 0.69 PDE10A (0.69) PDE10ANR1I2CYP2C9
SCHEMBL902220 0.68 PDE10A (0.57) PDE10ANR1I2CYP2C9
SCHEMBL14973981 0.68 PDE10A (0.57) PDE10ANR1I2CYP2C9

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
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO 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-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.