SCHEMBL2816449

SCHEMBL2816449

NCCNc1nc2ccccc2n2cc(CCc3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.55
KDM4E B2RXH2 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ADORA1 P30542 5/20 0.47
ADORA3 P0DMS8 4/20 0.47
ADORA2A P29274 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TOP2A P11388 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LCK P06239 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL2816022 0.83 TOP2A (0.51) MAPK8KDM4ENPSR1SMN1; SMN2RXFP1
SCHEMBL2817532 0.79 ADORA2A (0.69) ADORA1ADORA2A
SCHEMBL2814899 0.76 TOP2A (0.40) MAPK8KDM4ENPSR1RXFP1ADORA1
SCHEMBL2815370 0.76 ADORA2A (0.51) MAPK8KDM4ENPSR1SMN1; SMN2RXFP1
SCHEMBL2820359 0.76 ADORA3 (0.52) MAPK8KDM4ENPSR1SMN1; SMN2RXFP1
SCHEMBL2819623 0.74 ADORA2A (0.41) MAPK8KDM4ESMN1; SMN2RXFP1ADORA1
SCHEMBL2818821 0.74 KDM4E (0.47) MAPK8KDM4ENPSR1ADORA1ADORA2A
SCHEMBL2816602 0.74 ADORA2A (0.60) MAPK8KDM4EADORA1ADORA2AALDH1A1
SCHEMBL2820489 0.74 ADORA2A (0.60) MAPK8KDM4EADORA1ADORA2AALDH1A1
SCHEMBL2814644 0.74 ADORA2A (0.60) MAPK8KDM4EADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US claimed
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 MAPK8 1243/4885KDM4E 2878/4885NPSR1 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.