SCHEMBL22916251

SCHEMBL22916251

Clc1ccc(-c2nc3ccccn3c2CN2CC3COCC(C2)N3)nc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ SLC2A1 P11166 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ KCNK3 O14649 16/20 0.49
▸ KCNK9 Q9NPC2 16/20 0.49

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 SCHEMBL31448517 0.99 KDM4E (0.48) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL22916250 0.91 KCNK3 (0.53) KDM4ESLC2A1GAAKCNK3KCNK9
Hydrochloric Acid SCHEMBL31448337 0.90 KCNK3 (0.52) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL19807811 0.86 KDM4E (0.67) KDM4ESLC2A1GAAKCNK3KCNK9
Hydrochloric Acid SCHEMBL31448497 0.85 KDM4E (0.66) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL19807770 0.84 KCNK3 (0.55) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL19807638 0.80 KCNK3 (0.60) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL19807763 0.80 KCNK3 (0.54) KDM4ESLC2A1GAAKCNK3KCNK9
SCHEMBL19807795 0.79 KCNK3 (0.64) KCNK3KCNK9
SCHEMBL31020922 0.79 KCNK3 (0.64) KCNK3KCNK9

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 KDM4E 1973/4885SLC2A1 3098/4885GAA 1655/4885

“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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