SCHEMBL16896755

SCHEMBL16896755

COc1ccc(CN2C(=O)C(C)=C(c3cc4ccc(=O)n(Cc5ccccn5)c4cc3OC)C2=O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ UTS2R Q9UKP6 2/20 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
SCHEMBL20373593 0.93 ACHE (0.41) ACHEMAPTTP53MEN1KMT2A
SCHEMBL16896904 0.80 GRIN1 (0.39) —
SCHEMBL16896825 0.76 HTR2A (0.44) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL16896909 0.74 BRD4 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16896917 0.74 BRD4 (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16896907 0.74 PLA2G2A (0.41) ACHEMAPTMEN1KMT2AALDH1A1
SCHEMBL16905847 0.74 BRD4 (0.60) CYP2C19PDE4B
SCHEMBL18317183 0.74 BRD4 (0.43) LMNA
SCHEMBL16896777 0.73 GRIN1 (0.44) —
SCHEMBL18326403 0.73 KDM4E (0.40) ACHEMAPTMEN1KMT2AALDH1A1

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
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

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 ACHE 2354/4885MAPT 2737/4885TP53 1351/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 ACHE 2354/4885MAPT 2737/4885TP53 1351/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ACHE 2354/4885MAPT 2737/4885TP53 1351/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 ACHE 2354/4885MAPT 2737/4885TP53 1351/4885

“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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