SCHEMBL21943445

SCHEMBL21943445

CC(N)n1cnc2c(=O)[nH]c(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ XDH P47989 7/20 0.40
▸ HPRT1 P00492 3/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ PNP P00491 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ VCP P55072 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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 0.88 CDK2 (0.46) HPGDXDHHPRT1PDE2ACDK1
SCHEMBL21127824 0.84 HPRT1 (0.54) XDHHPRT1PNPMEN1KMT2A
SCHEMBL21942694 0.83 ADORA2A (0.46) HPGDXDHHPRT1PDE2ACDK1
SCHEMBL21943372 0.82 HPRT1 (0.39) XDHHPRT1PDE2ACDK1CCNB1
SCHEMBL3427614 0.76 CDK1 (0.47) HPGDXDHCDK1PNPMEN1
SCHEMBL24236963 0.76 HPGD (0.46) HPGDXDHHPRT1PNPMEN1
SCHEMBL21127932 0.74 HPRT1 (0.47) HPRT1PNPMEN1KMT2AALDH1A1
SCHEMBL23679502 0.73 HPGD (0.46) HPGDXDHHPRT1PNPMEN1
SCHEMBL22901682 0.73 HPGD (0.43) HPGDXDHPNPMEN1KMT2A
SCHEMBL2385929 0.73 HPRT1 (0.55) XDHHPRT1CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-01-27 — — US disclosed
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 (2 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-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 HPGD 1482/4885XDH 18/4885HPRT1 223/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS HPGD 839/4885XDH 1748/4885HPRT1 397/4885

“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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