SCHEMBL22326671

SCHEMBL22326671

CNn1cnc2c(=O)[nH]c(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ XDH P47989 7/20 0.39
▸ PNP P00491 1/20 0.35
▸ HPRT1 P00492 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TK1 P04183 1/20 0.33
▸ YTHDC1 Q96MU7 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
SCHEMBL21758938 0.81 XDH (0.36) XDHPNPHPRT1MEN1KMT2A
SCHEMBL3427614 0.79 CDK1 (0.47) HPGDXDHPNPMEN1KMT2A
SCHEMBL24236963 0.76 HPGD (0.46) HPGDXDHPNPHPRT1MEN1
SCHEMBL23679502 0.76 HPGD (0.46) HPGDXDHPNPHPRT1MEN1
SCHEMBL22901682 0.75 HPGD (0.43) HPGDXDHPNPMEN1KMT2A
SCHEMBL18520809 0.75 CDK2 (0.46) HPGDXDHHPRT1
SCHEMBL21943445 0.73 HPGD (0.42) HPGDXDHPNPHPRT1MEN1
SCHEMBL3424722 0.73 PDE1A (0.55) HPGDPNPHPRT1TK1
SCHEMBL22462003 0.73 KDM4E (0.47) HPGDMEN1KMT2ATSHRTK1
SCHEMBL24222086 0.73 PNP (0.42) HPGDPNPHPRT1TSHRHSP90AA1

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 HPGD 1329/4885XDH 16/4885PNP 302/4885

“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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