SCHEMBL17285646

SCHEMBL17285646

Cc1cn2ccc(C=O)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
CCR1 P32246 1/20 0.35
PDE10A Q9Y233 2/20 0.33

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
SCHEMBL20344162 0.82 PDE10A (0.33) HDAC1PDE10A
SCHEMBL10143645 0.78 PDE10A (0.38) HDAC1CCR1PDE10A
SCHEMBL26125177 0.78 CCR1 (0.32) CCR1
SCHEMBL18789807 0.77 HDAC1 (0.35) HDAC1PDE10A
SCHEMBL17285611 0.73 ALDH1A1 (0.54) HDAC1PDE10A
SCHEMBL20162086 0.72 HDAC1 (0.35) HDAC1PDE10A
SCHEMBL17626629 0.72 SUV39H2 (0.44) HDAC1PDE10A
SCHEMBL5769043 0.70 ALDH1A1 (0.38) CCR1
SCHEMBL12341046 0.69 PDE10A (0.33) HDAC1PDE10A
SCHEMBL12343964 0.69 PDE8B (0.35) HDAC1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145930-B1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS Celon Pharma Sa (PL) 2018-07-04 EP disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 US disclosed
US-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2017-04-27 US disclosed
WO-2015177688-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS CELON PHARMA S.A. (PL) 2015-11-26 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-20170114064-A1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS PDE3B, PDE3A, PDE5A HDAC1 156/4885CCR1 3887/4885PDE10A 7/4885

“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.