SCHEMBL24028629

SCHEMBL24028629

COc1cc2ncc(C#N)c(Nc3ccc(S(=N)(=O)NCC4CC4)cc3)c2cc1F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.55
ERBB2 P04626 8/20 0.55
MAP2K1 Q02750 8/20 0.53
SRC P12931 3/20 0.51
RAF1 P04049 1/20 0.48

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
SCHEMBL24028614 0.86 MAP2K1 (0.58) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL24028679 0.84 EGFR (0.55) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL25616628 0.76 EGFR (0.45) EGFRERBB2MAP2K1SRC
SCHEMBL27437241 0.75 MAP2K1 (0.74) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL24028612 0.74 EGFR (0.54) EGFRERBB2SRC
SCHEMBL20782594 0.73 MAP2K1 (0.67) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL30447144 0.73 MAP2K1 (0.67) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL6381464 0.72 EGFR (1.00) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL5733290 0.70 MAP2K1 (1.00) EGFRERBB2MAP2K1SRCRAF1
SCHEMBL20782846 0.70 MAP2K1 (0.72) EGFRERBB2MAP2K1SRCRAF1

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 2 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-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 EGFR 4629/4885ERBB2 3535/4885MAP2K1 3751/4885

“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.