SCHEMBL4550199

SCHEMBL4550199

Cn1cnc2cnncc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
GAA P10253 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.32
GFER P55789 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL19267535 0.72 CHRNB2 (0.52) GRM5DYRK1AALDH1A1MAPTCHRNB2
SCHEMBL23476802 0.71 NPC1 (0.37) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL23228240 0.71 NPC1 (0.39) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL84793 0.71 LTA4H (0.41) GRM5DYRK1AALDH1A1MAPTGAA
SCHEMBL256337 0.71 FGFR1 (0.53) GRM5DYRK1AALDH1A1MAPTNPC1
SCHEMBL7914272 0.71 DYRK1A (0.41) GRM5DYRK1AALDH1A1MAPTCHRNB2
SCHEMBL10238695 0.71 GRM5 (0.41) GRM5DYRK1AALDH1A1MAPTCHRNB2
SCHEMBL10423427 0.70 CHRNB2 (0.50) GRM5DYRK1AALDH1A1MAPTCHRNB2
SCHEMBL24484090 0.70 GRM5 (0.40) GRM5DYRK1AALDH1A1MAPTCHRNB2
SCHEMBL15174274 0.70 CHRNB2 (0.42) GRM5DYRK1AALDH1A1MAPTCHRNB2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 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
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
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2017-08-17 US disclosed
WO-2017106647-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-06-22 WO disclosed
EP-2890698-B1 DIOXINO- AND OXAZIN-[2,3-D]PYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (10 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 GRM5 2637/4885DYRK1A 3785/4885ALDH1A1 4863/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS GRM5 1246/4885DYRK1A 3696/4885ALDH1A1 3598/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD GRM5 2246/4885DYRK1A 3089/4885ALDH1A1 4438/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR GRM5 2715/4885DYRK1A 853/4885ALDH1A1 4455/4885
US-20170233407-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA GRM5 4344/4885DYRK1A 546/4885ALDH1A1 4549/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS GRM5 1246/4885DYRK1A 3696/4885ALDH1A1 3598/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 GRM5 542/4885DYRK1A 2204/4885ALDH1A1 1494/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG GRM5 1175/4885DYRK1A 1630/4885ALDH1A1 4331/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD GRM5 2339/4885DYRK1A 3072/4885ALDH1A1 4423/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 GRM5 2284/4885DYRK1A 3215/4885ALDH1A1 3968/4885

“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.