SCHEMBL29323614

SCHEMBL29323614

Cc1nc(N)cc(-c2nc3c4c(nc(OCC56CCCN5C[C@H](F)C6)nc4c2F)N([C@H](C)c2cccnc2N)CCO3)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 7/20 0.46
MAPK1 P28482 7/20 0.46
KRAS P01116 13/20 0.45

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
SCHEMBL31527267 1.00 MAPK3 (0.46) MAPK3MAPK1KRAS
SCHEMBL29321586 1.00 MAPK3 (0.46) MAPK3MAPK1KRAS
SCHEMBL30873507 1.00 MAPK3 (0.46) MAPK3MAPK1KRAS
SCHEMBL31527025 1.00 MAPK3 (0.46) MAPK3MAPK1KRAS
SCHEMBL29321696 0.94 KRAS (0.45) MAPK3MAPK1KRAS
SCHEMBL30873517 0.94 KRAS (0.45) MAPK3MAPK1KRAS
SCHEMBL30873345 0.93 MAPK3 (0.47) MAPK3MAPK1KRAS
SCHEMBL29321693 0.93 MAPK3 (0.47) MAPK3MAPK1KRAS
SCHEMBL29321558 0.92 MAPK3 (0.46) MAPK3MAPK1KRAS
SCHEMBL29321561 0.92 MAPK3 (0.46) MAPK3MAPK1KRAS

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 MAPK3 3866/4885MAPK1 4628/4885KRAS 1190/4885

“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.