SCHEMBL17823022

SCHEMBL17823022

Cn1ncc2ccc(-c3[nH]c(-c4ccccc4)nc3-c3n[nH]c(=O)n3C3CCCCC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 1/20 0.37
RAF1 P04049 1/20 0.37
AKT1 P31749 8/20 0.36
AKT2 P31751 7/20 0.36
AKT3 Q9Y243 2/20 0.36
MAPK14 Q16539 2/20 0.36
SCD5 Q86SK9 1/20 0.36
CTSS P25774 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
PFKFB3 Q16875 1/20 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
SCHEMBL17822969 0.99 AKT1 (0.37) DRD2DRD4DRD3RAF1AKT1
SCHEMBL17823089 0.97 AKT1 (0.37) DRD2DRD4AKT1AKT2AKT3
SCHEMBL17822982 0.96 AKT1 (0.38) DRD2DRD4AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL17823114 0.95 AKT1 (0.37) DRD2DRD4AKT1AKT2AKT3
SCHEMBL17823113 0.89 CREBBP (0.39) AKT1AKT2AKT3MAPK14CTSS
SCHEMBL17823037 0.88 ALOX5 (0.39) RAF1MAPK14ERCC1ERCC4
Hydrochloric Acid SCHEMBL19715273 0.88 CREBBP (0.38) AKT1AKT2AKT3MAPK14CTSS
SCHEMBL17823029 0.87 MAPK14 (0.49) MAPK14
Hydrochloric Acid SCHEMBL17823021 0.87 ALOX5 (0.38) RAF1MAPK14ERCC1ERCC4
SCHEMBL17823026 0.87 MAPK1 (0.39) AKT1MAPK14CTSSERCC1ERCC4

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 8 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
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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 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 (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 DRD2 3954/4885DRD4 4220/4885DRD3 3601/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 DRD2 3954/4885DRD4 4220/4885DRD3 3601/4885

“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.