SCHEMBL5886442

SCHEMBL5886442

CCCc1cc(CCC)c(Cn2ccnc2-c2cccc(F)n2)nn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 14/20 0.36
▸ BRD4 O60885 2/20 0.34
▸ GRIN2B Q13224 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ SREBF2 Q12772 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
SCHEMBL5886401 0.91 KCNH2 (0.32) KCNH2BRD4
SCHEMBL5886369 0.91 KCNH2 (0.32) KCNH2BRD4
SCHEMBL5886261 0.90 BRD4 (0.34) KCNH2BRD4GRM5
SCHEMBL5886300 0.90 BRD4 (0.33) KCNH2BRD4
SCHEMBL4155476 0.88 ALOX5AP (0.32) KCNH2BRD4GRM5
SCHEMBL4163017 0.88 KCNH2 (0.36) KCNH2BRD4GRM5
SCHEMBL5886360 0.88 GRM5 (0.32) KCNH2BRD4GRM5
SCHEMBL5886417 0.87 KDM4E (0.34) KCNH2BRD4GRM5
SCHEMBL5886337 0.87 PDE10A (0.32) KCNH2BRD4
SCHEMBL5886372 0.86 BRD4 (0.32) KCNH2BRD4SREBF2

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 4 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
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION 2004-04-22 — — US claimed
US-7122546-B2 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION (US) 2006-10-17 — — 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 (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-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives GABRA5, GABRA1, GABRA2 KCNH2 885/4885BRD4 1178/4885GRIN2B 67/4885

“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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