SCHEMBL24847397

SCHEMBL24847397

COc1ccc2nc(NC(=O)CNc3ccc(OC)c(OC)c3)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.52
CDK2 P24941 4/20 0.52
CDK3 Q00526 3/20 0.52
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL24846566 0.92 LMNA (0.50) CCNE1CDK2CDK3MAPTLMNA
SCHEMBL24847460 0.81 KDM4E (0.52) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL2655153 0.78 RAB9A (0.56) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL24847394 0.76 TOP2A (0.41) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL24846611 0.73 MAPT (0.63) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL24846570 0.73 LMNA (0.57) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL24847391 0.72 MGLL (0.63) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL2859325 0.71 KDR (0.53) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4918628 0.70 ALDH1A1 (0.51) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2453000 0.70 KDR (0.52) CCNE1CDK2CDK3MAPTKDM4E

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 CCNE1 3156/4885CDK2 338/4885CDK3 766/4885

“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.