SCHEMBL24028702

SCHEMBL24028702

COc1ccc2c(Nc3ccc(S(N)(=O)=NCC4CC4)cc3)c(C#N)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.58
RAF1 P04049 3/20 0.58
PDE4B Q07343 1/20 0.50
SRC P12931 5/20 0.49
STK4 Q13043 1/20 0.47
EGFR P00533 5/20 0.47
ERBB2 P04626 4/20 0.46

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
SCHEMBL25616625 0.91 MAP2K1 (0.47) MAP2K1RAF1PDE4BSRCSTK4
SCHEMBL24028679 0.87 EGFR (0.55) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL24028614 0.84 MAP2K1 (0.58) MAP2K1RAF1PDE4BSRCSTK4
SCHEMBL24028680 0.80 GAK (0.50) EGFR
SCHEMBL24028678 0.80 EGFR (0.55) RAF1EGFRERBB2
SCHEMBL25616628 0.79 EGFR (0.45) MAP2K1PDE4BSRCEGFRERBB2
SCHEMBL24028327 0.74 KDR (0.47)
SCHEMBL6381524 0.73 MAP2K1 (0.67) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL31084986 0.72 SRC (0.74) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL24028333 0.72 MET (0.45)

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 3 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
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 MAP2K1 3751/4885RAF1 1676/4885PDE4B 90/4885

“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.