SCHEMBL2814899

SCHEMBL2814899

CC(C)Cc1cn2c(n1)c(Cl)nc1ccccc12.CC(C)Cc1cn2c(n1)c(NCCN)nc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
KMT2A Q03164 2/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.37
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
ERN1 O75460 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PRKD3 O94806 1/20 0.36
CDK1 P06493 1/20 0.36
KIT P10721 1/20 0.36
CDK11B P21127 1/20 0.36

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
SCHEMBL2322708 0.86 TLR7 (0.47) TLR7KMT2AADORA2AADORA1ALDH1A1
SCHEMBL2820509 0.79 TOP2A (0.52) TOP2ATLR7KMT2AADORA2AADORA1
SCHEMBL2816449 0.76 MAPK8 (0.55) TOP2AKMT2AADORA2AADORA1MAPK8
SCHEMBL2324694 0.74 ADORA2A (0.61) TLR7ADORA2AADORA1
SCHEMBL2816602 0.73 ADORA2A (0.60) TOP2AADORA2AADORA1MAPK8ALDH1A1
SCHEMBL2814584 0.71 IKBKB (0.52) TLR7KMT2AMEN1RXFP1IKBKB
SCHEMBL2815013 0.71 LCK (0.46) KMT2AADORA2AADORA1ALDH1A1LCK
SCHEMBL12165801 0.70 ADORA2A (0.67) KMT2AADORA2AADORA1ALDH1A1HTT
SCHEMBL2819623 0.70 ADORA2A (0.41) TOP2AKMT2AADORA2AADORA1MAPK8
SCHEMBL2818158 0.69 TLR7 (0.45) TLR7KMT2AADORA2AADORA1ALDH1A1

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 TOP2A 5/4885TLR7 3277/4885KMT2A 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.