SCHEMBL21063153

SCHEMBL21063153

O=C(Nc1ncnc2c1ncn2C1OC(CO)C(F)C1O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
NFKB1 P19838 3/20 0.60
LMNA P02545 2/20 0.60
SLC29A1 Q99808 2/20 0.60
THPO P40225 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
PMP22 Q01453 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 1/20 0.60
NPY1R P25929 1/20 0.60
HTT P42858 1/20 0.60
NPY2R P49146 1/20 0.60
RAB9A P51151 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
CYP1A2 P05177 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADORA1 P30542 6/20 0.59
ADORA3 P0DMS8 4/20 0.58

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
SCHEMBL21877981 1.00 TSHR (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL29673060 1.00 TSHR (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL18797872 1.00 TSHR (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL31160207 1.00 TSHR (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL31160202 1.00 TSHR (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL23895160 1.00 TSHR (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL21625242 0.93 LMNA (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL314050 0.93 LMNA (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL21063207 0.93 LMNA (0.60) TSHRNFKB1LMNASLC29A1THPO
SCHEMBL9294393 0.93 LMNA (0.60) TSHRNFKB1LMNASLC29A1THPO

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
EP-3724205-B1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2022-06-22 EP disclosed
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-01-14 US disclosed
EP-3724205-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS Janssen Biotech, Inc. (US) 2020-10-21 EP disclosed
WO-2019118839-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2019-06-20 WO 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-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 TSHR 2468/4885NFKB1 232/4885LMNA 356/4885

“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.