SCHEMBL24253021

SCHEMBL24253021

NCc1cccc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.60
TACR1 P25103 3/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
PNMT P11086 2/20 0.39
FOLH1 Q04609 1/20 0.38
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ENPP1 P22413 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
KIF11 P52732 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 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
SCHEMBL21359666 0.84 PDCD1 (0.55) DPP4TACR1PDCD1CD274FOLH1
SCHEMBL21357876 0.82 DPP4 (0.41) DPP4TACR1PDCD1CD274FOLH1
SCHEMBL27705793 0.79 TACR1 (0.39) DPP4TACR1PDCD1CD274FOLH1
SCHEMBL21367623 0.78 PDK2 (0.50) DPP4TACR1PDCD1CD274FOLH1
SCHEMBL3424186 0.78 PTGS1 (0.49) PDCD1CD274FOLH1KMT2ARAB9A
SCHEMBL29872374 0.76 DPP4 (1.00) DPP4PDCD1CD274TAAR1PNMT
SCHEMBL469051 0.76 DPP4 (1.00) DPP4PDCD1CD274TAAR1PNMT
SCHEMBL17842129 0.76 DPP4 (0.41) DPP4PNMTALDH1A1HSD17B10MAOB
SCHEMBL3793637 0.76 ALDH1A1 (0.56) DPP4ALDH1A1HSD17B10ENPP1KIF11
SCHEMBL24253049 0.74 MAPT (0.45) PDCD1CD274KMT2A

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 DPP4 1388/4885TACR1 1849/4885PDCD1 2/4885

“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.