SCHEMBL4163017

SCHEMBL4163017

CCCc1cc(Cl)nnc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.36
▸ GRM5 P41594 1/20 0.32
▸ BRD4 O60885 3/20 0.31
▸ MC4R P32245 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
SCHEMBL5886350 0.90 KCNH2 (0.32) KCNH2
SCHEMBL5886261 0.89 BRD4 (0.34) KCNH2GRM5BRD4
SCHEMBL5886442 0.88 KCNH2 (0.36) KCNH2GRM5BRD4
SCHEMBL5886365 0.88 KCNH2 (0.31) KCNH2
SCHEMBL4155476 0.88 ALOX5AP (0.32) KCNH2GRM5BRD4
SCHEMBL5886360 0.87 GRM5 (0.32) KCNH2GRM5BRD4
SCHEMBL5886417 0.86 KDM4E (0.34) KCNH2GRM5BRD4
SCHEMBL5886337 0.86 PDE10A (0.32) KCNH2BRD4MC4R
SCHEMBL5886372 0.85 BRD4 (0.32) KCNH2BRD4
SCHEMBL5886345 0.84 PDCD1 (0.33) KCNH2GRM5BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122546-B2 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION (US) 2006-10-17 — — US claimed
EP-1549636-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES Neurogen Corporation (US) 2005-07-06 — — EP claimed
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION 2004-04-22 — — US claimed
WO-2004031174-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2004-04-15 — — WO claimed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
EP-1713784-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-10-25 — — EP disclosed
US-7122546-B2 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION (US) 2006-10-17 — — US disclosed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — WO disclosed
WO-2005080355-A1 IMIDAZO-PYRIDAZINES, TRIAZOLO-PYRIDAZINES AND RELATED BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-09-01 — — WO disclosed
EP-1549636-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES Neurogen Corporation (US) 2005-07-06 — — EP disclosed
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION 2004-04-22 — — US disclosed
WO-2004031174-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2004-04-15 — — 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 (2 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-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands GABRA4, GABRA2, GABRA5 KCNH2 461/4885GRM5 40/4885BRD4 534/4885
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives GABRA5, GABRA1, GABRA2 KCNH2 885/4885GRM5 31/4885BRD4 1178/4885

“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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