SCHEMBL22099676

SCHEMBL22099676

Nc1nc2cc(C(=O)O)ccc2n2c(-c3ccc(O)c(O)c3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
PTGS2 P35354 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5AP P20292 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RXRA P19793 1/20 0.35
PIK3CG P48736 2/20 0.35
HTT P42858 1/20 0.35
CSNK1D P48730 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
SCHEMBL17895315 0.91 KDM4E (0.38) KDM4ECA12CA1CA2POLB
SCHEMBL17895096 0.85 PIK3CG (0.38) KDM4EPIK3CGHTTMIFADORA3
SCHEMBL22099665 0.84 IKBKB (0.45) KDM4ECA12CA1CA2POLB
SCHEMBL17895242 0.82 ADORA2A (0.45) MIFADORA3ADORA2AADORA1
SCHEMBL17895098 0.81 MEN1 (0.36) KDM4EPOLBGAAALOX5APPIK3CG
SCHEMBL22260972 0.81 BRD4 (0.44) CSNK1D
SCHEMBL17895195 0.80 ALOX5AP (0.36) KDM4EALOX5APPIK3CGMIFADORA2A
SCHEMBL22099670 0.79 CA12 (0.43) KDM4ECA12CA1CA2GAA
SCHEMBL17895277 0.78 MIF (0.38) PIK3CGMIFADORA3ADORA2AADORA1
SCHEMBL2817187 0.78 ADORA2A (0.43) ADORA3ADORA2AADORA1MAP4K4

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
EP-3240789-B1 NEW IMIDAZO[1,2-A]QUINOXALINES AND DERIVATES THEREOF FOR THE TREATMENT OF CANCER UNIV MONTPELLIER (FR) 2020-07-29 EP claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 918/4885CA12 2118/4885CA1 3016/4885

“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.