SCHEMBL27088526

SCHEMBL27088526

COc1ccc(CNc2ncc(F)cc2C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 6/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ASPH Q12797 2/20 0.50
▸ KDM8 Q8N371 2/20 0.50
▸ RIOX2 Q8IUF8 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAP2K4 P45985 1/20 0.48
▸ AURKA O14965 2/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL23782531 0.90 MAPT (0.58) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL3255746 0.89 AURKA (0.55) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL4847270 0.86 GAA (0.53) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL29467955 0.79 GAA (0.52) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL28707454 0.79 GAA (0.52) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL27033961 0.79 NPC1 (0.60) KDM4EASPHKDM8MAPTGAA
SCHEMBL29467971 0.78 CA12 (0.49) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL28714008 0.78 CA12 (0.49) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL870110 0.77 P4HTM (0.55) VNN1KDM4EASPHKDM8RIOX2
SCHEMBL14195182 0.77 KDM4E (0.51) VNN1KDM4EASPHKDM8RIOX2

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-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 — — US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — 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-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 VNN1 257/4885KDM4E 1906/4885ASPH 548/4885

“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.

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