SCHEMBL29333935

SCHEMBL29333935

CNc1nccnc1[C@@H](C)NCCO

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 3/20 0.30
▸ CD274 Q9NZQ7 3/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ TNF P01375 1/20 0.30

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
SCHEMBL27088677 0.73 CCNE2 (0.51) —
SCHEMBL27088683 0.73 CCNE2 (0.51) —
SCHEMBL27089334 0.73 CCNE2 (0.51) —
SCHEMBL23767749 0.69 — —
SCHEMBL8264800 0.65 CXCR2 (0.39) PDCD1LG2CD274TNF
SCHEMBL29322201 0.62 PDCD1LG2 (0.40) PDCD1LG2CD274
SCHEMBL15360304 0.62 ALDH1A1 (0.39) —
SCHEMBL27089257 0.61 PDCD1LG2 (0.39) PDCD1LG2CD274SLC6A4
SCHEMBL27089288 0.61 PDCD1LG2 (0.39) PDCD1LG2CD274SLC6A4
SCHEMBL27088681 0.61 PDCD1LG2 (0.39) PDCD1LG2CD274SLC6A4

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 PDCD1LG2 388/4885CD274 775/4885SLC6A4 578/4885

“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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