SCHEMBL25620343

SCHEMBL25620343

C=C/C(=C\C=C(/C)Oc1ccnc2cc(OC)ccc12)S1(=O)=NC(=O)CN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.39
▸ AURKA O14965 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ TEK Q02763 3/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33

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
SCHEMBL24029089 0.71 MET (0.45) METAURKAKDRTEKAURKB
SCHEMBL17732799 0.71 HTR1A (0.44) METAURKAKDRTEKAURKB
SCHEMBL28771093 0.69 MET (0.54) METAURKAKDRTEKAURKB
SCHEMBL8145365 0.66 HTR1A (0.61) METAURKAKDRTEKAURKB
SCHEMBL19204448 0.64 PDGFRA (0.48) METAURKAKDRTEKAURKB
SCHEMBL24028704 0.62 KDR (0.45) METAURKAKDRTEKAURKB
SCHEMBL29952206 0.61 HTR1A (0.55) METAURKAKDRTEKAURKB
SCHEMBL29878429 0.60 MET (0.54) METAURKAKDRTEKAURKB
SCHEMBL2700581 0.60 MET (0.54) METAURKAKDRTEKAURKB
SCHEMBL13443841 0.60 HTR1A (0.57) METHTR1AADRA1DADRA1AADRA1B

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-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 — — 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-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 MET 4868/4885AURKA 3548/4885KDR 3650/4885

“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.

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