SCHEMBL30100769

SCHEMBL30100769

CCc1cnccc1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.57
▸ ALK Q9UM73 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL26441299 1.00 BRD4 (0.57) BRD4ALKCRBN
SCHEMBL14756076 0.85 BRD4 (0.61) BRD4
SCHEMBL31329495 0.83 MAP4K1 (0.51) CRBN
SCHEMBL21646064 0.83 MAP4K1 (0.51) CRBN
SCHEMBL31329494 0.83 MAP4K1 (0.51) CRBN
SCHEMBL26089057 0.82 KDR (0.37) BRD4ALKCRBN
SCHEMBL26086551 0.81 BRD4 (0.39) BRD4CRBN
SCHEMBL26086646 0.81 OTUD7B (0.38) BRD4ALKCRBN
SCHEMBL30100774 0.81 BRD4 (0.39) BRD4CRBN
SCHEMBL16771576 0.80 BRD4 (0.58) BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 — — EP 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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 BRD4 684/4885ALK 701/4885CRBN 3317/4885

“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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