SCHEMBL14822159

SCHEMBL14822159

Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00

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
SCHEMBL14821987 0.96 PDE10A (1.00) PDE10A
SCHEMBL14822224 0.96 PDE10A (0.93) PDE10A
SCHEMBL14822211 0.96 PDE10A (1.00) PDE10A
SCHEMBL14822312 0.92 PDE10A (0.84) PDE10A
SCHEMBL14821989 0.92 PDE10A (1.00) PDE10A
SCHEMBL14812077 0.91 PDE10A (0.83) PDE10A
SCHEMBL14822001 0.91 PDE10A (1.00) PDE10A
SCHEMBL14821997 0.90 PDE10A (1.00) PDE10A
SCHEMBL14822437 0.88 PDE10A (1.00) PDE10A
SCHEMBL9107086 0.88 PDE10A (0.78) PDE10A

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-2758396-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-29 EP disclosed
US-9227970-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE, INC. (US) 2016-01-05 US disclosed
US-20150099735-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-8946427-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2015-02-03 US disclosed
US-20140303141-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
WO-2013041472-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 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 (2 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-20140303141-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE3A, PDE5A, PDE3B PDE10A 5/4885
US-20150099735-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE3A, PDE5A, PDE3B PDE10A 5/4885

“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.