SCHEMBL21758960

SCHEMBL21758960

CCC(C)n1cc(F)c2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.55
ADORA2B P29275 3/20 0.55
ADORA1 P30542 3/20 0.55
ADORA3 P0DMS8 1/20 0.45
KDR P35968 11/20 0.40
SRC P12931 11/20 0.40
PIK3CB P42338 10/20 0.40
PIK3CG P48736 10/20 0.40
PRKDC P78527 10/20 0.40
PI4KB Q9UBF8 9/20 0.40
ABL1 P00519 9/20 0.40
EGFR P00533 9/20 0.40
HCK P08631 9/20 0.40
MTOR P42345 9/20 0.40
EPHB4 P54760 9/20 0.40
PIK3CD O00329 9/20 0.40
PIK3CA P42336 9/20 0.40
RET P07949 4/20 0.40
TEK Q02763 2/20 0.39
PI4KA P42356 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
SCHEMBL6364419 0.84 PIK3CD (0.51) ADORA2AADORA2BADORA1KDRSRC
SCHEMBL19775103 0.84 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3KDR
SCHEMBL22381516 0.83 PI4KB (0.41) ADORA2AADORA2BADORA1KDRSRC
SCHEMBL16236571 0.82 ADORA2A (0.55) ADORA2AADORA2BADORA1ADORA3KDR
SCHEMBL20058786 0.82 PIK3CB (0.43) ADORA2AADORA2BADORA1KDRSRC
SCHEMBL19187882 0.79 KDR (0.40) KDRSRCPIK3CBPIK3CGPRKDC
SCHEMBL24222133 0.76 SRC (0.38) ADORA2AADORA2BADORA1KDRSRC
SCHEMBL18874423 0.76 PIK3CG (0.55) ADORA2AADORA2BADORA1KDRSRC
SCHEMBL19711585 0.75 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3SRC
SCHEMBL21137166 0.74 PARP1 (0.37) ADORA2AADORA2BADORA1ADORA3SRC

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
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
US-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Pharmaceuticals, Inc. 2022-02-03 US disclosed
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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 (3 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-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS PNP, TYMP, HAVCR2 ADORA2A 130/4885ADORA2B 292/4885ADORA1 137/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA2A 64/4885ADORA2B 132/4885ADORA1 32/4885
US-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA2A 69/4885ADORA2B 144/4885ADORA1 36/4885

“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.