SCHEMBL18326403

SCHEMBL18326403

COc1cc2c(ccc(=O)n2Cc2ccccn2)cc1OC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ NOX4 Q9NPH5 2/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36

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 0.83 HTR2A (0.44) KDM4EKMT2AALDH1A1MEN1ACHE
SCHEMBL16896907 0.83 PLA2G2A (0.41) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL16896944 0.80 GRIN1 (0.39) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL16906006 0.78 BRD4 (0.41) GRIN1GRIN2BNOX4PLA2G2AGABRA1
SCHEMBL20547367 0.78 KMT2A (0.54) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL20373762 0.77 KDM4E (0.37) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL16896821 0.77 SCN9A (0.38) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL16896777 0.76 GRIN1 (0.44) GRIN1GRIN2BPDE5A
SCHEMBL16896904 0.75 GRIN1 (0.39) GRIN1GRIN2BNOX4PLA2G2AGABRA1
SCHEMBL16896917 0.75 BRD4 (0.42) KDM4EKMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US 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 (1 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 KDM4E 2070/4885KMT2A 1208/4885ALDH1A1 2949/4885

“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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