SCHEMBL20224934

SCHEMBL20224934

Cn1cnc2c(=O)[nH]c(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
PMP22 Q01453 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL12809489 0.81 GDA (0.39) GDALMNACYP3A4PMP22MAPK1
SCHEMBL20224938 0.79 GDA (0.38) GDALMNACYP3A4PMP22MAPK1
SCHEMBL18519852 0.79 PNP (0.45) GDALMNACYP3A4PMP22MAPK1
SCHEMBL21137206 0.79 SMN1; SMN2 (0.44) CYP3A4ALDH1A1TSHRPDE4AADORA2A
SCHEMBL24392467 0.69 PARP1 (0.44) ALDH1A1BRD4
SCHEMBL29589444 0.69 PARP1 (0.44) ALDH1A1BRD4
SCHEMBL18521149 0.69 CDK1 (0.40) GDACYP3A4PMP22MAPK1PDE4A
SCHEMBL8259942 0.68 RAB9A (0.42) GDACYP3A4PMP22MAPK1RAB9A
SCHEMBL8043797 0.68 GDA (0.36) GDALMNACYP3A4PMP22MAPK1
SCHEMBL616507 0.67 LMNA (0.40) LMNAALDH1A1TSHRBRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
WO-2021216572-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 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 (3 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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 GDA 1096/4885LMNA 3299/4885CYP3A4 4433/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS GDA 236/4885LMNA 3423/4885CYP3A4 4666/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS GDA 236/4885LMNA 3423/4885CYP3A4 4666/4885

“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.