SCHEMBL15539150

SCHEMBL15539150

Cc1ncc(C)n2nc(CCc3nc(N4CCCC4)n(C)n3)nc12

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
SCHEMBL15549810 0.86 PDE10A (1.00) PDE10A
SCHEMBL15560901 0.85 PDE10A (1.00) PDE10A
SCHEMBL15549666 0.82 PDE10A (1.00) PDE10A
SCHEMBL15539290 0.82 PDE10A (1.00) PDE10A
SCHEMBL15550021 0.81 PDE10A (1.00) PDE10A
SCHEMBL10309433 0.81 PDE10A (0.67) PDE10A
SCHEMBL15550419 0.80 PDE10A (1.00) PDE10A
SCHEMBL15550671 0.79 PDE10A (1.00) PDE10A
SCHEMBL15550670 0.79 PDE10A (1.00) PDE10A
SCHEMBL15559386 0.78 PDE10A (1.00) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 — — EP claimed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US claimed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 — — US claimed
EP-2855455-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP claimed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — WO claimed
EP-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 — — EP disclosed
EP-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 — — EP disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 — — US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 — — US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 — — US disclosed
US-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-28 — — US disclosed
EP-2855455-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP disclosed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — WO disclosed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — 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-20150148332-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS PDE3A, PDE3B, PDE5A PDE10A 4/4885

“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.

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