SCHEMBL13131265

SCHEMBL13131265

Cc1nc2ccccc2n2ccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.59
PTPN1 P18031 1/20 0.59
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
MAPK8 P45983 7/20 0.54
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IKBKB O14920 1/20 0.46
PDE10A Q9Y233 5/20 0.43
PDE2A O00408 4/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 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
SCHEMBL30578099 0.79 MAPK8 (0.54) PTPN2PTPN1HTR3EHTR3BHTR3A
SCHEMBL31746758 0.79 MAPK8 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL169235 0.79 MAPK8 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL120846 0.79 MAPK8 (0.54) PTPN2PTPN1HTR3EHTR3BHTR3A
SCHEMBL2816993 0.79 IKBKB (0.68) PTPN2PTPN1HTR3EHTR3BHTR3A
SCHEMBL15958608 0.79 HTR3E (0.53) PTPN2PTPN1HTR3EHTR3BHTR3A
SCHEMBL11487184 0.79 HPGD (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18096528 0.77 HTR3E (0.39) PTPN2PTPN1HTR3EHTR3BHTR3A
SCHEMBL11417540 0.77 MAPK8 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12676874 0.76 MAPK8 (0.51) PTPN2PTPN1HTR3EHTR3BHTR3A

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-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US disclosed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 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-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS IDH3A, NRAS, KRAS PTPN2 2630/4885PTPN1 2709/4885HTR3E 3105/4885

“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.