SCHEMBL16896944

SCHEMBL16896944

COc1cc2c(ccc(=O)n2Cc2ccccn2)cc1N=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NOX4 Q9NPH5 2/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35

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 0.82 HTR2A (0.44) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL16896907 0.82 PLA2G2A (0.41) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL18326403 0.80 KDM4E (0.40) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL16906006 0.78 BRD4 (0.41) GRIN1GRIN2BNOX4PLA2G2AGABRA1
SCHEMBL20547367 0.77 KMT2A (0.54) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL20373762 0.76 KDM4E (0.37) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL16896821 0.76 SCN9A (0.38) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL16896777 0.75 GRIN1 (0.44) GRIN1GRIN2BCYP3A4PDE5A
SCHEMBL16896917 0.75 BRD4 (0.42) GRIN1GRIN2BKMT2AALDH1A1KDM4E
SCHEMBL16896904 0.75 GRIN1 (0.39) GRIN1GRIN2BCYP3A4NOX4PLA2G2A

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 9 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
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 (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 GRIN1 1977/4885GRIN2B 3048/4885KMT2A 1208/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 GRIN1 1977/4885GRIN2B 3048/4885KMT2A 1208/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRIN1 1977/4885GRIN2B 3048/4885KMT2A 1208/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRIN1 1977/4885GRIN2B 3048/4885KMT2A 1208/4885

“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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