SCHEMBL20577255

SCHEMBL20577255

c1cc([C@@H]2CCNC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
KCNH2 Q12809 1/20 0.35
KDM5A P29375 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL20577257 1.00 HTR3A (0.41) HTR3AMKNK1MKNK2ROCK1CDC42BPB
SCHEMBL9557367 0.89 MKNK1 (0.45) MKNK1MKNK2KCNH2KDM5A
SCHEMBL3723540 0.85 CHRNB4 (0.37) HTR3AMKNK1KDM5A
SCHEMBL5173417 0.78
SCHEMBL29597773 0.78
SCHEMBL14868820 0.76 SLC18A3 (0.42) HTR3AHPGDS
SCHEMBL29889405 0.76 SLC18A3 (0.42) HTR3AHPGDS
SCHEMBL3921393 0.76 SLC18A3 (0.42) HTR3AHPGDS
SCHEMBL3923917 0.76 SLC18A3 (0.42) HTR3AHPGDS
SCHEMBL166955 0.76 SLC18A3 (0.42) HTR3AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 CN disclosed
EP-3630779-A1 ANTIBIOTIC RESISTANCE BREAKERS Kings College London (GB) 2020-04-08 EP disclosed
CN-110869373-A Antibiotic resistance disruptors 伦敦皇家学院 2020-03-06 CN disclosed
WO-2018220365-A1 ANTIBIOTIC RESISTANCE BREAKERS KING'S COLLEGE LONDON (GB) 2018-12-06 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 HTR3A 2186/4885MKNK1 3432/4885MKNK2 4232/4885

“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.