SCHEMBL901256

SCHEMBL901256

Cn1cc(CNc2cc(C(=O)O)nc3ccnn23)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.50
NR1I2 O75469 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNN3 Q9UGI6 5/20 0.46
KCNN1 Q92952 1/20 0.46
KCNN2 Q9H2S1 1/20 0.46
CDK2 P24941 6/20 0.44
PIK3CA P42336 1/20 0.43
CCNE1 P24864 5/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
TSHR P16473 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL901809 0.86 GSK3B (0.52) PDE10ANR1I2CYP2C9KCNN3KCNN1
SCHEMBL902740 0.81 KCNN3 (0.67) PDE10ANR1I2CYP2C9KCNN3KCNN1
SCHEMBL19288588 0.79 PDE10A (0.61) PDE10ANR1I2CYP2C9KCNN3KCNN1
SCHEMBL14974071 0.76 PDE10A (0.54) PDE10ANR1I2CYP2C9CDK2CCNE1
SCHEMBL10086336 0.74 PDE10A (0.68) PDE10ANR1I2CYP2C9CDK2
SCHEMBL12953471 0.72 GSK3B (0.61) KCNN3KCNN1KCNN2CDK2CCNE1
SCHEMBL14974695 0.71 DPP4 (0.43) CDK2CCNE1PIM1PIM3PLK3
SCHEMBL4259824 0.70 KCNN3 (0.47) PDE10AKCNN3KCNN1KCNN2CDK2
SCHEMBL13117300 0.69 GSK3B (0.73) KCNN3KCNN1KCNN2CDK2CCNE1
SCHEMBL8184306 0.69 PIM1 (0.55) PDE10APIM1PIM3PLK3PIM2

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
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
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.