SCHEMBL25808580

SCHEMBL25808580

NNn1cnc2c(=O)[nH]c(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ XDH P47989 7/20 0.42
▸ PNP P00491 4/20 0.38
▸ TK1 P04183 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPRT1 P00492 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL22326671 0.84 HPGD (0.43) HPGDXDHPNPTK1TSHR
SCHEMBL21137208 0.83 XDH (0.55) XDHPNPTK1BLMUSP2
SCHEMBL22399377 0.81 XDH (0.38) XDHPNPTK1BLMUSP2
SCHEMBL24236963 0.79 HPGD (0.46) HPGDXDHPNPTK1BLM
SCHEMBL23679502 0.76 HPGD (0.46) HPGDXDHPNPTK1BLM
SCHEMBL3427614 0.76 CDK1 (0.47) HPGDXDHPNPTK1MEN1
SCHEMBL21943445 0.73 HPGD (0.42) HPGDXDHPNPBLMHBB
SCHEMBL21127785 0.72 HPRT1 (0.48) PNPHPRT1MEN1KMT2AALDH1A1
SCHEMBL26199546 0.72 PNP (0.47) HPGDPNPTK1BLMUSP2
SCHEMBL22901682 0.72 HPGD (0.43) HPGDXDHPNPTK1MEN1

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — 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 (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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 HPGD 1650/4885XDH 16/4885PNP 462/4885

“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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