SCHEMBL17823034

SCHEMBL17823034

O=C1CCc2ccc(-c3[nH]c(-c4ccccc4)nc3-c3n[nH]c(=O)n3C3CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.36
RAF1 P04049 2/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
MAPK14 Q16539 5/20 0.35
GSK3B P49841 1/20 0.35
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
GCGR P47871 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
AKT1 P31749 5/20 0.34
AKT2 P31751 4/20 0.34
AKT3 Q9Y243 2/20 0.34

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
Hydrochloric Acid SCHEMBL17823057 0.99 NPY5R (0.36) NPY5RRAF1KMT2AL3MBTL1BRD4
SCHEMBL21374212 0.81 KDM4E (0.42) KMT2AMAPK14GSK3BMAPK13MAPK12
SCHEMBL17823035 0.80 AKT1 (0.39) RAF1KMT2AMAPK14GSK3BMAPK13
Hydrochloric Acid SCHEMBL19715280 0.80 AKT1 (0.38) RAF1KMT2AMAPK14GSK3BMAPK13
SCHEMBL17822993 0.79 CHEK2 (0.43) KMT2AMAPK14GSK3BKDM4EMEN1
SCHEMBL17823083 0.79 KDM4E (0.42) RAF1KMT2AMAPK14GSK3BMAPK13
SCHEMBL17823113 0.78 CREBBP (0.39) BRD4MAPK14AKT1AKT2AKT3
SCHEMBL17822982 0.78 AKT1 (0.38) MAPK14AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL19715278 0.78 CHEK2 (0.42) KMT2AMAPK14GSK3BKDM4EMEN1
Hydrochloric Acid SCHEMBL17823071 0.78 KDM4E (0.41) RAF1KMT2AMAPK14GSK3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP claimed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US claimed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US claimed
EP-3230277-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2017-10-18 EP claimed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 WO claimed
CN-107207474-B Substituted heterocycles as bromodomain inhibitors 恒翼生物医药科技(上海)有限公司 2021-05-07 CN disclosed
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP disclosed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
EP-3230277-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2017-10-18 EP disclosed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 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 (2 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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 NPY5R 4067/4885RAF1 460/4885KMT2A 727/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 NPY5R 4067/4885RAF1 460/4885KMT2A 727/4885

“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.