SCHEMBL16906045

SCHEMBL16906045

COc1cc2c(cc1Br)OCC(=O)N2Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ BRD4 O60885 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.37
▸ SLC5A1 P13866 2/20 0.37
▸ SLC5A2 P31639 2/20 0.37
▸ PIK3CG P48736 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
SCHEMBL16905841 0.87 L3MBTL1 (0.53) L3MBTL1USP2KDM4ESLC5A1SLC5A2
SCHEMBL16905970 0.87 TP53 (0.47) L3MBTL1PDE4BHTR2AHTR2CPOLB
SCHEMBL20373558 0.86 L3MBTL1 (0.52) L3MBTL1BRD4HTR2AHTR2CPOLB
SCHEMBL16905973 0.83 L3MBTL1 (0.46) L3MBTL1HTR2CPOLBMAPTRXFP1
SCHEMBL18326362 0.83 L3MBTL1 (0.46) L3MBTL1BRD4HTR2CPOLBMAPT
SCHEMBL16896893 0.82 BRD4 (0.44) L3MBTL1BRD4PDE4B
SCHEMBL16905984 0.81 BRD4 (0.54) L3MBTL1BRD4HTR2AHTR2CMAPT
SCHEMBL31457804 0.80 L3MBTL1 (0.40) L3MBTL1HTR2APOLBMAPTRXFP1
SCHEMBL26654846 0.80 L3MBTL1 (0.40) L3MBTL1HTR2APOLBMAPTRXFP1
SCHEMBL20373748 0.80 L3MBTL1 (0.41) L3MBTL1BRD4POLBMAPTRXFP1

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 disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — 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
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US 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 (4 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 L3MBTL1 2541/4885BRD4 4/4885PDE4B 1031/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 L3MBTL1 2541/4885BRD4 4/4885PDE4B 1031/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 L3MBTL1 2541/4885BRD4 4/4885PDE4B 1031/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 L3MBTL1 2541/4885BRD4 4/4885PDE4B 1031/4885

“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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