SCHEMBL2815048

SCHEMBL2815048

CC(C)Cc1cnc2c(N)nc3ccccc3n12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.56
ADORA2A P29274 9/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA3 P0DMS8 6/20 0.41
ADORA1 P30542 6/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 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
SCHEMBL2814034 0.84 TLR7 (0.44) TLR7KDM4ESMN1; SMN2NPSR1MEN1
SCHEMBL2815566 0.82 HTR2C (0.51) TLR7KDM4ESMN1; SMN2MEN1LMNA
SCHEMBL2816012 0.82 TLR7 (0.43) TLR7ADORA2AKDM4ESMN1; SMN2ADORA3
SCHEMBL2816324 0.82 TLR7 (0.43) TLR7ADORA2ASMN1; SMN2MEN1LMNA
SCHEMBL14884413 0.81 TLR7 (0.48) TLR7ADORA2AADORA3ADORA1MEN1
SCHEMBL2814584 0.79 IKBKB (0.52) TLR7MEN1KMT2ALIMK1
SCHEMBL12022885 0.79 TLR7 (0.46) TLR7ADORA2AADORA3ADORA1CSNK1A1
SCHEMBL2816226 0.78 TLR7 (0.48) TLR7ADORA2ASMN1; SMN2ADORA3ADORA1
SCHEMBL31047843 0.78 TLR7 (0.48) TLR7ADORA2ASMN1; SMN2ADORA3ADORA1
SCHEMBL8116890 0.77 IKBKB (0.54) TLR7ADORA2AKDM4EADORA3ADORA1

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 3277/4885ADORA2A 1818/4885KDM4E 2878/4885

“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.