SCHEMBL18317140

SCHEMBL18317140

COc1cc2c(cc1-c1conc1C)C=CCN2Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ CYBB P04839 2/20 0.33
▸ NOX5 Q96PH1 2/20 0.33
▸ NOX4 Q9NPH5 2/20 0.33
▸ NOX1 Q9Y5S8 2/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL18378608 0.84 BRD4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18318155 0.83 BRD4 (0.38) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896811 0.81 BRD4 (0.39) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18317400 0.79 SYK (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL18317139 0.78 BRD4 (0.37) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18377960 0.76 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18317124 0.74 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18317130 0.74 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18317111 0.74 BRD4 (0.44) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18317121 0.73 BRD4 (0.44) BRD4CYP3A4CYP2C9BRD2BRD3

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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US claimed

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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885CYP2C9 1528/4885

“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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