SCHEMBL24847460

SCHEMBL24847460

COc1ccc2nc(NC(=O)CSc3ccc(OC)c(OC)c3)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 12/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 4/20 0.48
ENPP1 P22413 2/20 0.47
ENPP3 O14638 1/20 0.47
ENPP2 Q13822 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL24847397 0.81 CCNE1 (0.52) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL24847394 0.80 TOP2A (0.41) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL2655153 0.78 RAB9A (0.56) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL24846566 0.77 LMNA (0.50) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL24846569 0.69 PKM (0.58) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL4915134 0.69 SCD (0.61) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL4917961 0.69 ALDH1A1 (0.54) KDM4EHPGDMAPTALDH1A1KMT2A
SCHEMBL24846645 0.69 FPR2 (0.67) HPGDMAPTALDH1A1KMT2AMEN1
SCHEMBL20305107 0.69 ENPP1 (0.73) ENPP1ENPP3ENPP2
SCHEMBL4921043 0.69 ALDH1A1 (0.55) KDM4EHPGDMAPTALDH1A1KMT2A

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 KDM4E 2771/4885HPGD 1522/4885MAPT 2774/4885

“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.