SCHEMBL5260709

SCHEMBL5260709

CCCc1nc(Cl)cnc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 12/20 0.34
▸ CD274 Q9NZQ7 12/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BRD4 O60885 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL5265789 0.87 ALOX5AP (0.33) KCNH2BRD4MAPT
SCHEMBL5230010 0.85 PDE4A (0.36) PDCD1CD274LMNAL3MBTL1PDE4A
SCHEMBL5227829 0.83 GRIN1 (0.32) BRD4MAPT
SCHEMBL4163017 0.81 KCNH2 (0.36) KCNH2BRD4
SCHEMBL5266946 0.80 PDE1A (0.31) BRD4
SCHEMBL4765982 0.80 ALDH1A1 (0.33) KCNH2BRD4
SCHEMBL4764107 0.80 ALDH1A1 (0.33) KCNH2BRD4
SCHEMBL5263590 0.80 — —
SCHEMBL5886357 0.79 BRD4 (0.33) KCNH2BRD4MAPT
SCHEMBL5266948 0.79 — —

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-1619948-A4 SUSTITUTED IMIDAZOLOPYRAZINE AND TRIAZOLOPYRAZINE DERIVATIVES: GABAA RECEPTOR LIGANDS NEUROGEN CORP (US) 2007-02-14 — — EP disclosed
US-20060247245-A1 Substituted imidazolopyrazine and triazolopyrazine derivatives: gabaa receptor ligands NEUROGEN CORPORATION 2006-11-02 — — US disclosed
EP-1619948-A1 SUSTITUTED IMIDAZOLOPYRAZINE AND TRIAZOLOPYRAZINE DERIVATIVES: GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-02-01 — — EP disclosed
WO-2004107863-A1 SUSTITUTED IMIDAZOLOPYRAZINE AND TRIAZOLOPYRAZINE DERIVATIVES: GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2004-12-16 — — 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-20060247245-A1 Substituted imidazolopyrazine and triazolopyrazine derivatives: gabaa receptor ligands GABRA5, GABRA3, GABRA2 PDCD1 2624/4885CD274 2537/4885KCNH2 237/4885

“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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