SCHEMBL16896747

SCHEMBL16896747

COc1cc2c(ccc(=O)n2S(=O)(=O)c2ccc(Cl)cc2)cc1-c1c(C)noc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ BRD2 P25440 4/20 0.39
▸ BRD3 Q15059 4/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ SCN9A Q15858 9/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL16896919 0.81 BRD4 (0.47) BRD4KDM4EBRD2BRD3NR3C1
SCHEMBL16896954 0.79 AKR1C3 (0.42) BRD4BRD2BRD3NR3C1CYP3A4
SCHEMBL16896793 0.76 KDM4E (0.42) BRD4KDM4EBRD2BRD3NR3C1
SCHEMBL16896897 0.75 BRD4 (0.46) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317485 0.72 BRD4 (0.41) BRD4KDM4EBRD2BRD3NR3C1
SCHEMBL18317486 0.72 BRD4 (0.41) BRD4KDM4EBRD2BRD3NR3C1
SCHEMBL18326397 0.72 BRD4 (0.48) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16896887 0.71 BRD4 (0.49) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16905797 0.71 BRD4 (0.42) BRD4BRD2BRD3NR3C1CYP3A4
SCHEMBL16896767 0.70 BRD4 (0.57) BRD4BRD2BRD3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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 4/4885KDM4E 2070/4885BRD2 2/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885KDM4E 2070/4885BRD2 2/4885

“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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