SCHEMBL24252514

SCHEMBL24252514

CC(C)Cc1ccnc(C(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
NR3C2 P08235 1/20 0.36
FGFR3 P22607 1/20 0.36
FAAH O00519 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
AKR1C3 P42330 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL805502 0.82 SMYD3 (0.48) ALDH1A1MAPTL3MBTL1KDM4EFGFR3
SCHEMBL4942782 0.82 RECQL (0.46) ALDH1A1MAPTL3MBTL1KDM4EGABRA1
SCHEMBL5513433 0.82 KDM4E (0.50) ALDH1A1MAPTL3MBTL1KDM4EMAPK1
SCHEMBL17169790 0.81 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4EGABRA1
SCHEMBL13621658 0.81 NR3C2 (0.44) L3MBTL1MAPK1GABRA1GABRB2NR3C2
Hydrochloric Acid SCHEMBL17161694 0.79 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1KDM4EMAPK1
SCHEMBL15858773 0.78 ACACB (0.51) ALDH1A1MAPTKDM4EMAPK1NR3C2
SCHEMBL12509819 0.76 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1KDM4EFGFR3
SCHEMBL12015752 0.76 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4ERAF1
SCHEMBL12233631 0.75 CNR2 (0.39) ALDH1A1MAPTL3MBTL1KDM4EFGFR3

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-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 ALDH1A1 110/4885MAPT 2862/4885L3MBTL1 353/4885

“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.