SCHEMBL19786887

SCHEMBL19786887

COc1ccc(-c2cnc3c(NC(CC(C)C)C(=O)OC(C)(C)C)nc4ccccc4n23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
BRD4 O60885 4/20 0.38
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 2/20 0.37
RECQL P46063 1/20 0.37
FYN P06241 2/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL19771244 0.94 BRD4 (0.40) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL19786889 0.91 MAPT (0.41) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL19786886 0.90 MAOA (0.42) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL19786882 0.88 MAOA (0.41) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL19771242 0.83 BRD4 (0.41) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL19786884 0.83 KDM4E (0.42) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL17895236 0.82 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL19771238 0.82 BRD4 (0.40) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL22099679 0.82 MAOA (0.47) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL22099678 0.82 MAOA (0.47) KDM4EALDH1A1MAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer UNIVERSITE DE MONTPELLIER (FR) 2020-06-23 US disclosed
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer AXLR, SATT DU LANGUEDOC ROUSSILLON (FR) 2018-01-18 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-10689384-B2 Imidazo[1,2-a]quinoxalines and derivatives thereof for the treatment of cancer NQO1, NQO2, ABL1 KDM4E 918/4885ALDH1A1 163/4885MAPT 4376/4885
US-20180016278-A1 Imidazo[1,2-a]quinoxalines and Derivatives Thereof for the Treatment of Cancer NQO1, NQO2, ABL1 KDM4E 918/4885ALDH1A1 163/4885MAPT 4376/4885

“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.