SCHEMBL25828300

SCHEMBL25828300

CC(=O)c1ccnc(C(C)C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5A P29375 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ASPH Q12797 2/20 0.32
KDM8 Q8N371 2/20 0.32
SRC P12931 2/20 0.31
TGFBR1 P36897 2/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CLK2 P49760 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL24691980 0.84 SIRT3 (0.41) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL17619239 0.80 KDM4C (0.33) SMN1; SMN2ALDH1A1KDM4CKDM5AKDM5B
SCHEMBL29663647 0.80 KDM4C (0.33) SMN1; SMN2ALDH1A1KDM4CKDM5AKDM5B
SCHEMBL16414490 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4CKDM4ENPC1
SCHEMBL6628065 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4CKDM4EASPH
SCHEMBL27554852 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4CKDM4EASPH
SCHEMBL1119080 0.73 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4CKDM5AKDM4E
SCHEMBL14803298 0.72 TRPA1 (0.33) KDM4EMAPK1
SCHEMBL12895997 0.71 NOS2 (0.48) CLK2
SCHEMBL23948694 0.71 NOS3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US 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-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 SMN1; SMN2 4156/4885ALDH1A1 2139/4885KDM4C 3954/4885

“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.