SCHEMBL29996830

SCHEMBL29996830

Nc1nc2c(F)cccc2c2nc(Cc3ccccc3)cn12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.44
ADORA1 P30542 7/20 0.44
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PDE10A Q9Y233 1/20 0.34
ADORA2B P29275 2/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BACE1 P56817 1/20 0.33
LTB4R Q15722 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21063161 1.00 ADORA2A (0.44) ADORA2AADORA1TLR8KDM4EALDH1A1
SCHEMBL29995906 0.95 ADORA2A (0.41) ADORA2AADORA1TLR8KDM4EALDH1A1
SCHEMBL21062964 0.95 ADORA2A (0.41) ADORA2AADORA1TLR8KDM4EALDH1A1
SCHEMBL21063321 0.89 ADORA1 (0.43) ADORA2AADORA1TLR8PDE10AADORA3
SCHEMBL21063320 0.85 ADORA2A (0.39) ADORA2AADORA1TLR8KDM4EALDH1A1
SCHEMBL29996147 0.84 ADORA2A (0.36) ADORA2AADORA1ADORA2BAKR1A1AKR1B1
SCHEMBL29995953 0.84 ALDH1A1 (0.41) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL21063335 0.84 ADORA2A (0.36) ADORA2AADORA1ADORA2BAKR1A1AKR1B1
SCHEMBL21062956 0.84 ALDH1A1 (0.41) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL21063077 0.84 BACE1 (0.45) ADORA2AADORA1KDM4EALDH1A1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists MERCK SHARP & DOHME LLC (US) 2022-11-15 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-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885TLR8 1644/4885

“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.