SCHEMBL902740

SCHEMBL902740

Cn1cc(CNc2cc(Cl)nc3ccnn23)cn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 14/20 0.67
KCNN1 Q92952 2/20 0.67
KCNN2 Q9H2S1 2/20 0.67
PDE10A Q9Y233 4/20 0.58
NR1I2 O75469 1/20 0.53
CYP2C9 P11712 1/20 0.53
CDK2 P24941 2/20 0.47
CCNE1 P24864 1/20 0.42

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
SCHEMBL19288588 0.83 PDE10A (0.61) KCNN3KCNN1KCNN2PDE10ANR1I2
SCHEMBL14982002 0.81 KCNN3 (0.76) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL901256 0.81 PDE10A (0.50) KCNN3KCNN1KCNN2PDE10ANR1I2
SCHEMBL13117302 0.80 KCNN3 (0.80) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL901809 0.79 GSK3B (0.52) KCNN3KCNN1KCNN2PDE10ANR1I2
SCHEMBL14973548 0.79 KCNN3 (0.62) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL12953257 0.79 KCNN3 (0.76) KCNN3KCNN1KCNN2PDE10ACDK2
SCHEMBL10086336 0.78 PDE10A (0.68) PDE10ANR1I2CYP2C9CDK2
SCHEMBL5456487 0.78 KCNN3 (0.73) KCNN3KCNN1KCNN2PDE10A
SCHEMBL5447969 0.77 KCNN3 (0.66) KCNN3KCNN1KCNN2PDE10ACDK2

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 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.