SCHEMBL2816012

SCHEMBL2816012

COc1nc2ccccc2n2c(CC(C)C)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
IKBKB O14920 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
ALOX5AP P20292 2/20 0.38
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2814034 0.82 TLR7 (0.44) TLR7MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2815048 0.82 TLR7 (0.56) TLR7MEN1KMT2ASMN1; SMN2ADORA2A
SCHEMBL2817490 0.81 MEN1 (0.44) IKBKBMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2815566 0.80 HTR2C (0.51) TLR7IKBKBMEN1KMT2ASMN1; SMN2
SCHEMBL2816324 0.80 TLR7 (0.43) TLR7MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2814584 0.75 IKBKB (0.52) TLR7IKBKBMEN1KMT2APOLB
SCHEMBL2817449 0.75 IKBKB (0.50) IKBKBMEN1KMT2AADORA2AADORA1
SCHEMBL2820672 0.74 PDE2A (0.52) IKBKBMEN1KMT2ASMN1; SMN2ADORA2A
SCHEMBL2818158 0.73 TLR7 (0.45) TLR7MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2819621 0.72 FLT3 (0.47) TSHRSMN1; SMN2ADORA2ALMNATP53

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 TLR7 3277/4885IKBKB 855/4885MEN1 187/4885

“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.