SCHEMBL29323601

SCHEMBL29323601

Cc1c(F)c(N)c(F)c(-c2nc3c4c(nc(OCC56CCCN5C[C@H](F)C6)nc4c2F)N([C@H](C)c2cccnc2N)CCO3)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 13/20 0.45
MAPK3 P27361 7/20 0.43
MAPK1 P28482 7/20 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
SCHEMBL29321580 1.00 KRAS (0.45) KRASMAPK3MAPK1
SCHEMBL30873378 1.00 KRAS (0.45) KRASMAPK3MAPK1
SCHEMBL29333528 0.97 KRAS (0.44) KRASMAPK3MAPK1
SCHEMBL30873369 0.95 KRAS (0.44) KRASMAPK3MAPK1
SCHEMBL29322585 0.95 KRAS (0.44) KRASMAPK3MAPK1
SCHEMBL29321700 0.95 KRAS (0.44) KRASMAPK3MAPK1
SCHEMBL29321648 0.93 KRAS (0.46) KRASMAPK3MAPK1
SCHEMBL30978069 0.93 KRAS (0.46) KRASMAPK3MAPK1
SCHEMBL29323624 0.92 KRAS (0.47) KRASMAPK3MAPK1
SCHEMBL29321588 0.92 KRAS (0.47) KRASMAPK3MAPK1

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.