SCHEMBL25311797

SCHEMBL25311797

O=C(N[C@@H]1[C@@H]2CNC[C@@H]21)c1cccc(Nc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALPG P10696 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.37
GRM5 P41594 1/20 0.37
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL25311803 1.00 MAPT (0.45) MAPTMEN1KMT2AKDM4EALPG
SCHEMBL25310088 0.82 MAPT (0.43) MAPTMEN1KMT2AKDM4EALPG
SCHEMBL25310085 0.82 MAPT (0.43) MAPTMEN1KMT2AKDM4EALPG
SCHEMBL25878265 0.81 MAPT (0.42) MAPTMEN1KMT2AKDM4EALPG
SCHEMBL25310493 0.80 GSK3A (0.50) MAPTRAB9AAURKAAURKBMAPK8
SCHEMBL25310495 0.80 GSK3A (0.50) MAPTRAB9AAURKAAURKBMAPK8
SCHEMBL25883126 0.77 MAPT (0.40) MAPTMEN1KMT2AKDM4EALPG
SCHEMBL25879067 0.76 KMT2A (0.55) MAPTMEN1KMT2AKDM4EALPG
SCHEMBL29466310 0.76 ANO1 (0.44) KDM4EJAK1
SCHEMBL29484593 0.75 CHRNA4 (0.57) MAPTMEN1KMT2AKDM4EALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-03-28 US disclosed
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP 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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LANCL2, CBS, LCP2 MAPT 4180/4885MEN1 2222/4885KMT2A 3064/4885

“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.