SCHEMBL17823113

SCHEMBL17823113

Cn1ncc2cc(-c3[nH]c(-c4ccccc4)nc3-c3n[nH]c(=O)n3C3CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.39
BRD4 O60885 2/20 0.39
TGFBR1 P36897 5/20 0.38
MAPK14 Q16539 3/20 0.38
LRRK2 Q5S007 1/20 0.38
AKT1 P31749 5/20 0.36
AKT2 P31751 5/20 0.36
AKT3 Q9Y243 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
CTSS P25774 1/20 0.35
TRPA1 O75762 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
Hydrochloric Acid SCHEMBL19715273 0.99 CREBBP (0.38) CREBBPBRD4TGFBR1MAPK14LRRK2
SCHEMBL17822982 0.93 AKT1 (0.38) MAPK14AKT1AKT2AKT3CTSS
Hydrochloric Acid SCHEMBL17823114 0.92 AKT1 (0.37) MAPK14AKT1AKT2AKT3CTSS
SCHEMBL17822969 0.90 AKT1 (0.37) MAPK14AKT1AKT2AKT3CTSS
SCHEMBL17823089 0.90 AKT1 (0.37) MAPK14AKT1AKT2AKT3CTSS
SCHEMBL17823022 0.89 DRD2 (0.37) MAPK14AKT1AKT2AKT3CTSS
SCHEMBL17823037 0.85 ALOX5 (0.39) TGFBR1MAPK14
SCHEMBL17823138 0.85 AKT1 (0.37) CREBBPBRD4MAPK14AKT1AKT2
SCHEMBL17823029 0.84 MAPK14 (0.49) MAPK14
Hydrochloric Acid SCHEMBL17822929 0.84 AKT1 (0.37) CREBBPBRD4MAPK14AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 CREBBP 22/4885BRD4 1/4885TGFBR1 1610/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 CREBBP 22/4885BRD4 1/4885TGFBR1 1610/4885

“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.