SCHEMBL24028680

SCHEMBL24028680

COc1ccc2c(Nc3ccc(S(N)(=O)=NCC4CC4)cc3)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 3/20 0.50
RIPK2 O43353 2/20 0.50
COQ8A Q8NI60 2/20 0.50
NLK Q9UBE8 2/20 0.50
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
FERMT2 Q96AC1 1/20 0.47
HTT P42858 1/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
ALK Q9UM73 1/20 0.44
PDGFRA P16234 1/20 0.44
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TGFBR1 P36897 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL24028703 0.89 EGFR (0.54) GAKRIPK2COQ8ANLKPDGFRA
SCHEMBL24028700 0.87 GAK (0.39) GAKRIPK2COQ8ANLKHTT
SCHEMBL24028701 0.85 GAK (0.57) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL24028678 0.85 EGFR (0.55) HTTEGFR
SCHEMBL24028327 0.84 KDR (0.47) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL25616629 0.84 HTT (0.48) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL24028618 0.82 GAK (0.49) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL25468779 0.82 GAK (0.49) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL24028333 0.82 MET (0.45) ENPP3ENPP1ALKPDGFRAFGFR2
SCHEMBL24028702 0.80 MAP2K1 (0.58) EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 US disclosed
US-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 US disclosed
WO-2023086638-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-05-19 WO disclosed
WO-2021231726-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2021-11-18 WO 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-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 GAK 1240/4885RIPK2 1120/4885COQ8A 75/4885

“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.