SCHEMBL5886298

SCHEMBL5886298

CCCc1c(C)cnnc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.32
▸ GRIN2B Q13224 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL5886357 0.83 BRD4 (0.33) BRD4ALOX5APKCNH2
SCHEMBL4161231 0.82 NOS2 (0.33) ALOX5APKCNH2
SCHEMBL5886277 0.82 KCNH2 (0.34) KCNH2
SCHEMBL5783490 0.81 PDE10A (0.33) BRD4
SCHEMBL4911209 0.80 ADORA2A (0.31) —
SCHEMBL4790982 0.80 — —
SCHEMBL8258206 0.79 BRD4 (0.32) BRD4
SCHEMBL4771762 0.79 NOS2 (0.36) BRD4ALOX5AP
SCHEMBL4764107 0.79 ALDH1A1 (0.33) BRD4KCNH2
SCHEMBL4765982 0.79 ALDH1A1 (0.33) BRD4KCNH2

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
US-20040077653-A1 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION 2004-04-22 — — US 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 BRD4 1178/4885GRIN2B 67/4885CYP3A4 959/4885

“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.

Send feedback