SCHEMBL24009286

SCHEMBL24009286

COc1cc2nccc(O)c2cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.46
MET P08581 1/20 0.46
AXL P30530 1/20 0.46
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
EGFR P00533 6/20 0.45
ERBB2 P04626 6/20 0.45
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
SRC P12931 4/20 0.43
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 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
SCHEMBL19957128 0.88 MET (0.52) METAXLEGFRERBB2IMPDH2
SCHEMBL14217352 0.84 EGFR (0.45) MAP2K1METAXLAREGFR
SCHEMBL29492471 0.82 PDGFRB (0.55) EGFRSRCPDGFRB
SCHEMBL165285 0.82 PDGFRB (0.55) EGFRSRCPDGFRB
SCHEMBL1895913 0.82 SRC (0.50) EGFRERBB2SRC
Hydrochloric Acid SCHEMBL6432114 0.81 SRC (0.49) EGFRERBB2SRC
SCHEMBL28439891 0.81 EGFR (0.47) METEGFRSRCPDGFRB
Hydrochloric Acid SCHEMBL4463414 0.81 PDGFRB (0.54) EGFRSRCPDGFRB
SCHEMBL13980692 0.79 XDH (0.48) EGFRSRC
SCHEMBL4299967 0.78 SRC (0.52) MAP2K1EGFRERBB2SRCPDGFRB

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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 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 (2 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 MAP2K1 1963/4885MET 4855/4885AXL 2498/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 MAP2K1 1963/4885MET 4855/4885AXL 2498/4885

“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.