SCHEMBL24253087

SCHEMBL24253087

Cc1cc(C=O)c(OCc2cncc(C#N)c2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.44
PDCD1 Q15116 16/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL24252542 0.89 CD274 (0.44) CD274PDCD1
SCHEMBL21199744 0.86 CD274 (0.43) CD274PDCD1ALDH1A1LMNAMAPT
SCHEMBL25232651 0.84 CD274 (0.41) CD274PDCD1
SCHEMBL24252580 0.84 CD274 (0.42) CD274PDCD1ALDH1A1MAPT
SCHEMBL25701790 0.84 CD274 (0.46) CD274PDCD1
SCHEMBL19849674 0.84 CD274 (0.46) CD274PDCD1
SCHEMBL24253040 0.83 PDCD1 (0.55) CD274PDCD1ALDH1A1LMNAMAPT
SCHEMBL20911400 0.81 PDCD1 (0.43) CD274PDCD1
SCHEMBL25701719 0.81 CCR5 (0.47) CD274PDCD1ALDH1A1LMNAMAPT
SCHEMBL21130607 0.80 CD274 (0.53) CD274PDCD1

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 4 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 disclosed
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 CD274 1/4885PDCD1 2/4885ALDH1A1 110/4885

“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.