SCHEMBL24847435

SCHEMBL24847435

COc1ccc(NC(=O)Cn2cnc3c(=O)[nH]c(N)nc32)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
BLM P54132 2/20 0.47
PNP P00491 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
HTR2A P28223 1/20 0.47
RECQL P46063 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ENPP1 P22413 5/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL24846597 0.82 HPRT1 (0.52) MEN1KMT2AHSP90AA1HSP90AB1BLM
SCHEMBL24846641 0.80 CA2 (0.63) POLBMAPTMEN1KMT2ARECQL
SCHEMBL31562858 0.79 POLB (0.55) POLBMAPTMEN1KMT2AHSP90AA1
SCHEMBL24847424 0.75 POLB (0.62) POLBMAPTMEN1KMT2ARECQL
SCHEMBL6265339 0.74 TK1 (0.62) MEN1KMT2ABLMPNPUSP2
SCHEMBL24846633 0.74 ENPP1 (0.54) POLBMAPTMEN1KMT2ATSHR
SCHEMBL24846600 0.73 ENPP1 (0.58) POLBMAPTMEN1KMT2ARECQL
SCHEMBL24846632 0.73 HSP90AA1 (0.54) POLBMAPTHSP90AA1HSP90AB1RECQL
SCHEMBL28601086 0.73 TK1 (0.46) MEN1KMT2ABLMPNPUSP2
SCHEMBL31562918 0.73 POLB (0.62) POLBMAPTMEN1KMT2ARECQL

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 POLB 1863/4885MAPT 2774/4885MEN1 2180/4885

“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.