SCHEMBL21137208

SCHEMBL21137208

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.55
▸ PNP P00491 3/20 0.51
▸ TK1 P04183 2/20 0.51
▸ BLM P54132 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ EDNRA P25101 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HPRT1 P00492 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ VCP P55072 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL19569930 0.86 XDH (0.55) XDHPNPTK1BLMUSP2
SCHEMBL48090 0.83 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL21137720 0.83 XDH (0.52) XDHPNPTK1BLMUSP2
SCHEMBL25808580 0.83 HPGD (0.43) XDHPNPTK1BLMUSP2
SCHEMBL22399377 0.83 XDH (0.38) XDHPNPTK1BLMUSP2
SCHEMBL986800 0.80 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL29138701 0.79 XDH (0.48) XDHPNPTK1BLMUSP2
SCHEMBL41787 0.78 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL15005119 0.78 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL27667185 0.78 XDH (0.63) XDHPNPTK1BLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 — — US disclosed
EP-4219717-A2 EXON SKIPPING OLIGOMERS FOR MUSCULAR DYSTROPHY Sarepta Therapeutics, Inc. (US) 2023-08-02 — — EP disclosed
US-20210403501-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 SHANGHAI XINQI WU FILM AND TELEVISION INVESTMENT CO., LTD. (CN) 2021-12-30 — — US disclosed
US-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 — — US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 — — US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 — — 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 (8 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS XDH 1435/4885PNP 174/4885TK1 216/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS XDH 592/4885PNP 138/4885TK1 240/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS XDH 592/4885PNP 138/4885TK1 240/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS XDH 592/4885PNP 138/4885TK1 240/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 XDH 16/4885PNP 302/4885TK1 323/4885
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA XDH 2898/4885PNP 1202/4885TK1 326/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS XDH 1748/4885PNP 348/4885TK1 55/4885
US-20210403501-A1 COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1 PHKA1, PHKA2, PRKCA XDH 2898/4885PNP 1202/4885TK1 326/4885

“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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