SCHEMBL5780644

SCHEMBL5780644

CCCc1c(C)ncnc1Cn1ccnc1-c1cccc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ METAP1 P53582 1/20 0.33
▸ TGFBR1 P36897 4/20 0.33
▸ GRIN2B Q13224 4/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ SYK P43405 2/20 0.31

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
SCHEMBL5783490 0.86 PDE10A (0.33) PDE10A
SCHEMBL4767441 0.82 TGFBR1 (0.37) MBOAT4GABRA1GABRG2GABRB3GABRA3
SCHEMBL5783000 0.81 CTSS (0.36) PDE10A
SCHEMBL4764030 0.81 TGFBR1 (0.33) MBOAT4GABRA1GABRG2GABRB3GABRA3
SCHEMBL4771762 0.76 NOS2 (0.36) PDE10A
SCHEMBL4764107 0.76 ALDH1A1 (0.33) PDE10A
SCHEMBL5780239 0.75 PDE10A (0.33) PDE10A
SCHEMBL5779109 0.75 MAP4K4 (0.35) —
SCHEMBL5780371 0.74 — —
SCHEMBL5782870 0.74 PDE6D (0.32) 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 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
EP-1560822-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS Neurogen Corporation (US) 2005-08-10 — — EP claimed
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-05-27 — — US claimed
WO-2004041808-A1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES_AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORPORATION (GB) 2004-05-21 — — WO 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
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

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 MBOAT4 3824/4885GABRA1 1/4885GABRG2 20/4885

“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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