SCHEMBL21942694

SCHEMBL21942694

CCC(C)n1cnc2c(=O)[nH]c(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ PDE2A O00408 1/20 0.39
▸ HPRT1 P00492 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ XDH P47989 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL18520809 0.85 CDK2 (0.46) ADORA2AADORA2BADORA1HPGDPDE2A
SCHEMBL14644457 0.83 HPRT1 (0.54) ADORA2AADORA2BADORA1HPRT1ALDH1A1
SCHEMBL18822254 0.83 HPRT1 (0.54) ADORA2AADORA2BADORA1HPRT1ALDH1A1
SCHEMBL21943445 0.83 HPGD (0.42) HPGDPDE2AHPRT1ALDH1A1SMN1; SMN2
SCHEMBL26199546 0.77 PNP (0.47) ADORA2AADORA1HPGDHPRT1ALDH1A1
SCHEMBL22571139 0.76 KDM4E (0.47) ADORA2AADORA2BADORA1HPRT1KDM4E
SCHEMBL21625880 0.75 ADORA2A (0.56) ADORA2AADORA2BADORA1HPRT1PNP
SCHEMBL3424722 0.74 PDE1A (0.55) ADORA2AHPGDHPRT1PNP
SCHEMBL3427614 0.74 CDK1 (0.47) ADORA2AADORA1HPGDXDHPNP
SCHEMBL30331956 0.74 ADORA2A (0.50) ADORA2AADORA2BADORA1CDK1LMNA

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-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — 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-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 900/4885ADORA2B 2261/4885ADORA1 1640/4885

“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.

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