SCHEMBL16896907

SCHEMBL16896907

COc1cc2c(ccc(=O)n2Cc2ccccn2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NOX4 Q9NPH5 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38

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
SCHEMBL16896825 0.86 HTR2A (0.44) PLA2G2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL18326403 0.83 KDM4E (0.40) PLA2G2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL16896944 0.82 GRIN1 (0.39) PLA2G2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL16906006 0.82 BRD4 (0.41) PLA2G2AGRIN1GRIN2BNOX4BRD4
SCHEMBL20547367 0.81 KMT2A (0.54) PLA2G2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL16896821 0.80 SCN9A (0.38) PLA2G2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL20373762 0.80 KDM4E (0.37) PLA2G2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL16896777 0.79 GRIN1 (0.44) GRIN1GRIN2BPDE5ABRD4
SCHEMBL16896904 0.79 GRIN1 (0.39) PLA2G2AGRIN1GRIN2BNOX4BRD4
SCHEMBL16896924 0.79 GRIN1 (0.39) PLA2G2AGRIN1GRIN2BNOX4BRD4

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 11 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
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
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 (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 PLA2G2A 2463/4885KMT2A 1208/4885KDM4E 2070/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 PLA2G2A 2463/4885KMT2A 1208/4885KDM4E 2070/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 PLA2G2A 2463/4885KMT2A 1208/4885KDM4E 2070/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 PLA2G2A 2463/4885KMT2A 1208/4885KDM4E 2070/4885

“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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