SCHEMBL29322151

SCHEMBL29322151

C#Cc1cccc2cc(O)cc(-c3nc4c5c(nc(OC[C@@]67CCCN6C[C@H](F)C7)nc5c3F)N([C@H](C)c3nccnc3C)CCO4)c12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.60
MAPK3 P27361 6/20 0.56
MAPK1 P28482 6/20 0.56
RAF1 P04049 1/20 0.51

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
SCHEMBL29322152 0.94 MAPK3 (0.55) KRASMAPK3MAPK1
SCHEMBL29321577 0.94 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL30873329 0.94 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL30873453 0.89 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL29321567 0.89 KRAS (0.59) KRASMAPK3MAPK1RAF1
SCHEMBL30873392 0.89 MAPK3 (0.57) KRASMAPK3MAPK1RAF1
SCHEMBL29321635 0.89 MAPK3 (0.57) KRASMAPK3MAPK1RAF1
SCHEMBL31527044 0.87 KRAS (0.60) KRASMAPK3MAPK1RAF1
SCHEMBL29321847 0.86 MAPK3 (0.53) KRASMAPK3MAPK1RAF1
SCHEMBL29321850 0.86 MAPK3 (0.55) KRASMAPK3MAPK1RAF1

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-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 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-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 KRAS 1190/4885MAPK3 3866/4885MAPK1 4628/4885

“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.