SCHEMBL4155476

SCHEMBL4155476

CCCc1cc(N)nnc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL5886261 0.89 BRD4 (0.34) KCNH2BRD4GRM5
SCHEMBL5886442 0.88 KCNH2 (0.36) KCNH2BRD4GRM5
SCHEMBL4163017 0.88 KCNH2 (0.36) KCNH2BRD4GRM5
SCHEMBL5886360 0.87 GRM5 (0.32) KCNH2BRD4GRM5
SCHEMBL5886337 0.86 PDE10A (0.32) KCNH2BRD4
SCHEMBL5886417 0.86 KDM4E (0.34) KCNH2BRD4GRM5
SCHEMBL5886372 0.85 BRD4 (0.32) KCNH2BRD4
SCHEMBL4160273 0.84 TGFBR1 (0.33) KCNH2BRD4
SCHEMBL5886357 0.84 BRD4 (0.33) ALOX5APKCNH2BRD4
SCHEMBL5886344 0.83 NPC1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands GABRA4, GABRA2, GABRA5 ALOX5AP 3631/4885KCNH2 461/4885BRD4 534/4885

“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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