SCHEMBL4765982

SCHEMBL4765982

CCCc1c(Cl)nc(C)nc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ BRD4 O60885 2/20 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
SCHEMBL4791678 0.87 NOS2 (0.33) BRD4
SCHEMBL4764107 0.87 ALDH1A1 (0.33) ALDH1A1KCNH2BRD4
SCHEMBL5779996 0.84 KCNH2 (0.34) ALDH1A1KCNH2HSD17B10
SCHEMBL5886277 0.84 KCNH2 (0.34) ALDH1A1KCNH2
SCHEMBL14166302 0.82 — —
SCHEMBL5783490 0.81 PDE10A (0.33) ALDH1A1BRD4
SCHEMBL4762771 0.80 PDE10A (0.32) —
SCHEMBL4763960 0.80 — —
SCHEMBL5260709 0.80 PDCD1 (0.34) KCNH2BRD4
SCHEMBL5886298 0.79 BRD4 (0.32) KCNH2BRD4

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 23 patents — showing the first 20. 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
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
EP-1880998-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-01-23 — — EP disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
US-7271170-B2 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION (US) 2007-09-18 — — US 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-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-02-17 — — US disclosed
WO-2005012306-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-10 — — WO disclosed
WO-2005012306-A2 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-10 — — WO 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 (3 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 ALDH1A1 261/4885KCNH2 1174/4885HSD17B10 4266/4885
US-20050038043-A1 Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands GABRA3, GABRA1, GABBR1 ALDH1A1 1135/4885KCNH2 586/4885HSD17B10 4557/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 ALDH1A1 1135/4885KCNH2 586/4885HSD17B10 4557/4885

“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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