SCHEMBL20589563

SCHEMBL20589563

Clc1ccc(-c2nc3ncccn3c2CN2CC3CCC2CN3)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 20/20 0.64
▸ KCNK9 Q9NPC2 20/20 0.64

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 SCHEMBL21826570 0.99 KCNK3 (0.63) KCNK3KCNK9
SCHEMBL22001578 0.92 KCNK3 (0.62) KCNK3KCNK9
SCHEMBL24208123 0.90 KCNK3 (0.63) KCNK3KCNK9
Hydrochloric Acid SCHEMBL27194833 0.89 KCNK3 (0.60) KCNK3KCNK9
Hydrochloric Acid SCHEMBL21826620 0.89 KCNK3 (0.62) KCNK3KCNK9
Trifluoroacetic Acid SCHEMBL20587791 0.85 KCNK3 (0.61) KCNK3KCNK9
SCHEMBL19807701 0.84 KCNK3 (0.57) KCNK3KCNK9
Hydrochloric Acid SCHEMBL31448492 0.83 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL22001480 0.82 KCNK3 (0.64) KCNK3KCNK9
SCHEMBL24208124 0.82 KCNK3 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-20 — — US disclosed
EP-3638675-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS Bayer AG (DE) 2020-04-22 — — EP disclosed
WO-2018228907-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2018-12-20 — — 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-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS HIF1AN, QDPR, HNMT KCNK3 3529/4885KCNK9 4195/4885

“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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