SCHEMBL24847394

SCHEMBL24847394

COc1ccc2nc(NCC(=O)Sc3ccc(OC)c(OC)c3)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ABL1 P00519 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LCK P06239 1/20 0.35
ITK Q08881 1/20 0.35
AURKB Q96GD4 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL24847460 0.80 KDM4E (0.52) NPC1RAB9AMAPTGAAKDM4E
SCHEMBL24846566 0.80 LMNA (0.50) TOP2ARAB9AMAPTKDM4EL3MBTL1
SCHEMBL24847397 0.76 CCNE1 (0.52) ABL1MAPTGAAKDM4EHTT
SCHEMBL2655153 0.68 RAB9A (0.56) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL14243031 0.66 LCK (0.41) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL16622863 0.65 IDO1 (0.42) NPC1RAB9AABL1MAPTGAA
SCHEMBL4915134 0.64 SCD (0.61) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL4921043 0.63 ALDH1A1 (0.55) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4914811 0.63 SCD (0.66) NPC1RAB9AKDM4EALDH1A1RXFP1
SCHEMBL4918031 0.62 NPC1 (0.63) NPC1RAB9AMAPTKDM4EHTT

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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP TOP2A 711/4885NPC1 3100/4885RAB9A 1241/4885

“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.