SCHEMBL22099666

SCHEMBL22099666

O=C(O)CNc1nc2ccccc2n2ccnc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.69
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
OGFRL1 Q5TC84 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
IKBKB O14920 1/20 0.42

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
SCHEMBL17895299 0.84 MAPK8 (0.69) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL17895294 0.83 MAPK8 (0.57) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL17895250 0.82 MAPK8 (0.66) MAPK8
SCHEMBL8118265 0.82 MAPK8 (0.73) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL17895204 0.81 MAPK8 (0.65) MAPK8
SCHEMBL8103067 0.79 MAPK8 (0.73) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL17894988 0.78 MAPK8 (0.49) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11500427 0.78 MAPK8 (0.67) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11480484 0.77 MAPK8 (0.65) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL2816993 0.76 IKBKB (0.68) MAPK8HTR3EHTR3BHTR3AHTR3D

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 1 patent. 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

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 MAPK8 1826/4885HTR3E 3553/4885HTR3B 3276/4885

“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.