SCHEMBL20224938

SCHEMBL20224938

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.38
RECQL P46063 1/20 0.37
CYP3A4 P08684 2/20 0.37
PMP22 Q01453 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
XDH P47989 3/20 0.33
LMNA P02545 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
PABPC1 P11940 1/20 0.33
CDK1 P06493 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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) GDARECQLCYP3A4PMP22MAPK1
SCHEMBL18519852 0.79 PNP (0.45) GDACYP3A4PMP22MAPK1RAB9A
SCHEMBL23228201 0.79 XDH (0.36) L3MBTL1XDHALDH1A1
SCHEMBL20224934 0.79 GDA (0.38) GDARECQLCYP3A4PMP22MAPK1
SCHEMBL23228226 0.79 BRD4 (0.39) CYP3A4PMP22MAPK1MEN1KMT2A
SCHEMBL23228197 0.79 SMN1; SMN2 (0.44) CYP3A4MEN1KMT2AL3MBTL1XDH
SCHEMBL3427614 0.69 CDK1 (0.47) GDACYP3A4PMP22MAPK1MEN1
SCHEMBL8259942 0.68 RAB9A (0.42) GDACYP3A4PMP22MAPK1RAB9A
SCHEMBL8043797 0.68 GDA (0.36) GDACYP3A4PMP22MAPK1POLB
SCHEMBL27249977 0.67 POLB (0.41) RECQLMEN1KMT2APOLBL3MBTL1

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 9 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-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-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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 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 (7 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 GDA 236/4885RECQL 1162/4885CYP3A4 4666/4885
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 GDA 1096/4885RECQL 1372/4885CYP3A4 4433/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS GDA 236/4885RECQL 1162/4885CYP3A4 4666/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS GDA 308/4885RECQL 306/4885CYP3A4 4819/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS GDA 308/4885RECQL 306/4885CYP3A4 4819/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS GDA 308/4885RECQL 306/4885CYP3A4 4819/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS GDA 236/4885RECQL 1162/4885CYP3A4 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.