SCHEMBL5780239

SCHEMBL5780239

CCCc1c(C)ncnc1Cn1ccnc1-c1ncccc1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.33
▸ KCNH2 Q12809 2/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PKM P14618 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
SCHEMBL5782103 0.90 — —
SCHEMBL4769901 0.89 KCNH2 (0.34) PDE10AKCNH2
SCHEMBL5780338 0.86 MAPK14 (0.30) —
SCHEMBL5779131 0.86 PDE10A (0.31) PDE10A
SCHEMBL4766440 0.86 BMPR1B (0.33) KCNH2
SCHEMBL8295703 0.86 PDE4A (0.32) —
SCHEMBL5778886 0.86 HCRTR1 (0.31) —
SCHEMBL5783478 0.85 DHODH (0.33) —
SCHEMBL5780668 0.85 CYP2A6 (0.38) —
SCHEMBL5779142 0.84 NPC1 (0.32) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560822-B1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORP (US) 2006-08-09 — — EP claimed
US-6951864-B2 4-imidazol-1-ylmethyl-pyrimidine derivatives NEUROGEN CORP. (US) 2005-10-04 — — US claimed
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-05-27 — — US claimed
EP-1560822-B1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORP (US) 2006-08-09 — — EP disclosed
US-6951864-B2 4-imidazol-1-ylmethyl-pyrimidine derivatives NEUROGEN CORP. (US) 2005-10-04 — — US disclosed
EP-1560822-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS Neurogen Corporation (US) 2005-08-10 — — EP disclosed
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-05-27 — — US disclosed
WO-2004041808-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORPORATION (GB) 2004-05-21 — — WO disclosed
WO-2004041808-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORPORATION (GB) 2004-05-21 — — 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-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives GABRA1, GABRA4, GABRA3 PDE10A 1608/4885KCNH2 1174/4885TNKS2 4040/4885

“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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