SCHEMBL2816609

SCHEMBL2816609

COc1nc2ccccc2n2cc(CCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.48
ADORA1 P30542 3/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK8 P45983 1/20 0.39
RECQL P46063 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ASAH1 Q13510 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2818158 0.81 TLR7 (0.45) ADORA2AADORA1KMT2AMEN1L3MBTL1
SCHEMBL2817532 0.80 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL2815370 0.80 ADORA2A (0.51) ADORA2AADORA1KMT2AMEN1PKM
SCHEMBL2813913 0.80 ADORA2A (0.48) ADORA2AADORA1KMT2AMEN1PKM
SCHEMBL2816022 0.80 TOP2A (0.51) ADORA2AADORA1KMT2AMEN1PKM
SCHEMBL2814970 0.76 KDM4E (0.63) ADORA2AADORA1L3MBTL1MAPTLMNA
SCHEMBL2817490 0.73 MEN1 (0.44) ADORA2AADORA1KMT2AMEN1PKM
SCHEMBL2816449 0.73 MAPK8 (0.55) ADORA2AADORA1KMT2AALDH1A1HPGD
SCHEMBL2816630 0.70 ADORA2A (0.54) ADORA2AADORA1KMT2AMEN1L3MBTL1
SCHEMBL2820457 0.70 ADORA2A (0.71) ADORA2AADORA1KMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP disclosed
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 ADORA2A 1818/4885ADORA1 1985/4885KMT2A 998/4885

“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.