SCHEMBL22883167

SCHEMBL22883167

O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.59
TYMP P19971 3/20 0.56
PAX8 Q06710 1/20 0.56
GSK3A P49840 2/20 0.55
RPS6KA3 P51812 2/20 0.55
MAPK14 Q16539 2/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
ALB P02768 1/20 0.55
HPGD P15428 1/20 0.54
STING1 Q86WV6 2/20 0.52
ADORA3 P0DMS8 4/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.51
SLC28A1 O00337 1/20 0.51
MAP3K7 O43318 1/20 0.51
SLC28A2 O43868 1/20 0.51

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
SCHEMBL25098352 0.91 ADORA3 (0.59) P2RX3TYMPPAX8GSK3ARPS6KA3
SCHEMBL9132895 0.91 ADORA3 (0.59) P2RX3TYMPPAX8GSK3ARPS6KA3
SCHEMBL8629175 0.91 ADORA3 (0.59) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL12964365 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL13320592 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL16707275 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL13012212 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL1738548 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL6933022 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3
Inosine SCHEMBL10001664 0.90 PAX8 (0.69) P2RX3TYMPPAX8GSK3ARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-13 US disclosed
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-01-14 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 (2 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-20220008549-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF STING1, CGAS, TLR9 P2RX3 220/4885TYMP 1536/4885PAX8 3735/4885
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 P2RX3 46/4885TYMP 1289/4885PAX8 4374/4885

“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.