SCHEMBL24846641

SCHEMBL24846641

COc1ccc(NC(=O)Cn2cnc3c(N)ncnc32)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.63
CA4 P22748 5/20 0.63
CA9 Q16790 5/20 0.63
CA1 P00915 3/20 0.63
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ENPP1 P22413 1/20 0.52
EGFR P00533 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
CHKA P35790 1/20 0.46
CHKB Q9Y259 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
SCHEMBL24846601 0.83 ENPP1 (0.56) POLBMAPTMEN1KMT2AENPP1
SCHEMBL24847435 0.80 POLB (0.55) POLBMAPTMEN1KMT2AENPP1
SCHEMBL31562918 0.80 POLB (0.62) POLBMAPTMEN1KMT2AENPP1
SCHEMBL24846434 0.78 ALDH1A1 (0.57) CA2CA9CA1POLBMAPT
SCHEMBL31562858 0.78 POLB (0.55) POLBMAPTMEN1KMT2AENPP1
SCHEMBL24846631 0.76 ENPP1 (0.49) CA2CA4CA9CA1POLB
SCHEMBL24847424 0.76 POLB (0.62) POLBMAPTMEN1KMT2AENPP1
SCHEMBL6694591 0.76 EGFR (0.60) CA2CA4CA9CA1EGFR
SCHEMBL11862441 0.75 ADORA2A (0.60)
SCHEMBL24846598 0.74 MAPT (0.56) POLBMAPTMEN1KMT2AENPP1

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 CA2 4263/4885CA4 4769/4885CA9 4559/4885

“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.