SCHEMBL16896794

SCHEMBL16896794

COc1cc2c(cc1-c1c(C)noc1C)OCC(=O)N2Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.43
▸ BRD2 P25440 5/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ BRD3 Q15059 4/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C19 P33261 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PTGER2 P43116 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16896893 0.89 BRD4 (0.44) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL16897775 0.89 BRD4 (0.44) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL18317138 0.86 BRD4 (0.41) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL16896942 0.86 L3MBTL1 (0.44) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL18317114 0.85 BRD4 (0.41) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL20568814 0.84 BRD4 (0.37) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL16896886 0.84 BRD4 (0.43) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL16896816 0.83 BRD4 (0.53) BRD4BRD2CYP3A4BRD3CYP2C9
SCHEMBL16905970 0.83 TP53 (0.47) CYP3A4CYP2C9TP53CYP2C19ALDH1A1
SCHEMBL16896884 0.82 BRD4 (0.41) BRD4BRD2CYP3A4BRD3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US claimed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US claimed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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 (3 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 4/4885BRD2 2/4885CYP3A4 1942/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 BRD4 4/4885BRD2 2/4885CYP3A4 1942/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885BRD2 2/4885CYP3A4 1942/4885

“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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