SCHEMBL5503495

SCHEMBL5503495

CC(C)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.60
TK1 P04183 2/20 0.60
BLM P54132 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
NFKB1 P19838 1/20 0.60
VCP P55072 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
HPRT1 P00492 10/20 0.59
HBB P68871 2/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
EDNRA P25101 1/20 0.59
HTR2A P28223 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL20723337 0.90 PNP (0.60) PNPTK1BLMMEN1KMT2A
SCHEMBL7262066 0.89 HPRT1 (0.61) PNPTK1BLMMEN1KMT2A
SCHEMBL7262060 0.89 HPRT1 (0.61) PNPTK1BLMMEN1KMT2A
SCHEMBL7268685 0.89 HPRT1 (0.61) PNPTK1BLMMEN1KMT2A
SCHEMBL24420130 0.88 PNP (0.56) PNPTK1BLMMEN1KMT2A
SCHEMBL26779929 0.88 PNP (0.56) PNPTK1BLMMEN1KMT2A
SCHEMBL26779932 0.88 PNP (0.56) PNPTK1BLMMEN1KMT2A
SCHEMBL8097057 0.86 PNP (0.60) PNPTK1BLMMEN1KMT2A
SCHEMBL15054517 0.85 HPRT1 (0.57) PNPTK1BLMMEN1KMT2A
SCHEMBL27054012 0.84 PNP (0.53) PNPTK1BLMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977767-B1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2007-09-19 EP claimed
JP-60199899-A None JP disclosed
CN-109536442-B Separation method of placenta mesenchymal stem cells 青岛奥克生物开发有限公司 2024-05-03 CN disclosed
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
JP-S60199899-A NUCLEOSIDE 3'-PHOSPHOTRIESTER DERIVATIVE FUJIREBIO INC 1985-10-09 JP 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 PNP 174/4885TK1 216/4885BLM 106/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS PNP 138/4885TK1 240/4885BLM 45/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS PNP 138/4885TK1 240/4885BLM 45/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS PNP 138/4885TK1 240/4885BLM 45/4885

“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.