SCHEMBL14982002

SCHEMBL14982002

Clc1cc(NCc2cnn(Cc3ccccc3)c2)n2nccc2n1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 14/20 0.76
KCNN1 Q92952 2/20 0.76
KCNN2 Q9H2S1 2/20 0.76
PDE10A Q9Y233 1/20 0.51
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
MAPKAPK2 P49137 1/20 0.45
DPP4 P27487 1/20 0.44

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
SCHEMBL14974274 0.82 KCNN3 (0.72) KCNN3KCNN1KCNN2PDE10ACCNE1
SCHEMBL902740 0.81 KCNN3 (0.67) KCNN3KCNN1KCNN2PDE10ACCNE1
SCHEMBL12953257 0.80 KCNN3 (0.76) KCNN3KCNN1KCNN2PDE10ACCNE1
SCHEMBL13117302 0.76 KCNN3 (0.80) KCNN3KCNN1KCNN2PDE10ACCNE1
SCHEMBL10085529 0.75 PDE10A (0.79) PDE10A
SCHEMBL17926547 0.72 KCNN3 (0.68) KCNN3KCNN1KCNN2PDE10A
SCHEMBL13985944 0.71 KCNN3 (0.77) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL5456487 0.71 KCNN3 (0.73) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5447969 0.71 KCNN3 (0.66) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL4201923 0.70 KCNN3 (0.75) KCNN3KCNN1KCNN2PDE10ADPP4

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 5 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

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 KCNN3 1293/4885KCNN1 1432/4885KCNN2 1588/4885

“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.