SCHEMBL22916250

SCHEMBL22916250

Clc1ccc(-c2nc3ccccn3c2CN2CC3CCC(C2)N3)nc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 16/20 0.53
▸ KCNK9 Q9NPC2 16/20 0.53
▸ KDM4E B2RXH2 3/20 0.48
▸ SLC2A1 P11166 2/20 0.47
▸ GAA P10253 1/20 0.47

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
Hydrochloric Acid SCHEMBL31448337 0.99 KCNK3 (0.52) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL22916251 0.91 KDM4E (0.49) KCNK3KCNK9KDM4ESLC2A1GAA
Hydrochloric Acid SCHEMBL31448517 0.90 KDM4E (0.48) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL19807770 0.86 KCNK3 (0.55) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL22916193 0.85 KDM4E (0.67) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL19807638 0.85 KCNK3 (0.60) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL19807763 0.85 KCNK3 (0.54) KCNK3KCNK9KDM4ESLC2A1GAA
Hydrochloric Acid SCHEMBL31448417 0.84 KDM4E (0.65) KCNK3KCNK9KDM4ESLC2A1GAA
SCHEMBL19807606 0.82 KCNK3 (0.59) KCNK3KCNK9KDM4ESLC2A1GAA
Hydrochloric Acid SCHEMBL31448504 0.82 KCNK3 (0.59) KCNK3KCNK9KDM4ESLC2A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024545-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 — — 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-20210024545-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE HYOU1, DDAH1, VDAC3 KCNK3 145/4885KCNK9 1247/4885KDM4E 1973/4885

“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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