SCHEMBL21137720

SCHEMBL21137720

CNNn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.52
HPRT1 P00492 5/20 0.48
PNP P00491 5/20 0.48
TK1 P04183 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
EDNRA P25101 1/20 0.47
HTR2A P28223 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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 0.88 XDH (0.55) XDHHPRT1PNPTK1MEN1
SCHEMBL24222060 0.84 XDH (0.35) XDHHPRT1PNPTK1MEN1
SCHEMBL21137208 0.83 XDH (0.55) XDHHPRT1PNPTK1MEN1
SCHEMBL48090 0.79 XDH (0.51) XDHHPRT1PNPTK1MEN1
SCHEMBL29138701 0.78 XDH (0.48) XDHHPRT1PNPTK1MEN1
SCHEMBL7209513 0.77 MEN1 (0.49) XDHHPRT1PNPTK1MEN1
9-Methylguanine SCHEMBL22884 0.76 XDH (0.58) XDHHPRT1PNPTK1MEN1
SCHEMBL986800 0.76 XDH (0.60) XDHHPRT1PNPTK1MEN1
SCHEMBL20442302 0.76 XDH (0.55) XDHHPRT1PNPTK1MEN1
9-Methylguanine SCHEMBL27339404 0.75 XDH (0.57) XDHHPRT1PNPTK1MEN1

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 4 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-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-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 (4 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 1435/4885HPRT1 248/4885PNP 174/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS XDH 592/4885HPRT1 139/4885PNP 138/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS XDH 592/4885HPRT1 139/4885PNP 138/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS XDH 592/4885HPRT1 139/4885PNP 138/4885

“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.