SCHEMBL24253012

SCHEMBL24253012

CC(=O)NCCNCc1ccc(NCc2cccc(-c3ccccc3)c2C)cc1OCc1cccc(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 1.00
CD274 Q9NZQ7 20/20 1.00
HDAC6 Q9UBN7 1/20 0.63

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
SCHEMBL29390063 1.00 PDCD1 (1.00) PDCD1CD274HDAC6
SCHEMBL24252521 0.91 PDCD1 (1.00) PDCD1CD274HDAC6
SCHEMBL29390666 0.91 PDCD1 (1.00) PDCD1CD274HDAC6
SCHEMBL26075235 0.89 PDCD1 (0.88) PDCD1CD274HDAC6
SCHEMBL17161524 0.89 PDCD1 (0.84) PDCD1CD274HDAC6
SCHEMBL24253014 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL25245920 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL30591211 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL17161793 0.84 CD274 (0.72) PDCD1CD274HDAC6
SCHEMBL32689504 0.83 PDCD1 (1.00) PDCD1CD274

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
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US claimed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP claimed
CN-114075123-A Benzylamine derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2022-02-22 CN claimed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885HDAC6 1976/4885

“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.