SCHEMBL4546576

SCHEMBL4546576

CC(C)n1cnc2cnncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFER P55789 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL21137625 0.78 SLC2A1 (0.35) HPGDMEN1KMT2AHSD17B10
SCHEMBL1106468 0.75 NFATC1 (0.45) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL19014233 0.75 HCAR3 (0.44) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL1106481 0.75 FGFR1 (0.49) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL30555641 0.73 HCAR3 (0.43) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL15742057 0.73 SMN1; SMN2 (0.45) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL15742045 0.73 HCAR3 (0.43) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL17807784 0.73 HCAR3 (0.43) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL15742198 0.73 GLP1R (0.50) HCAR3SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4550199 0.71 GRM5 (0.37) SMN1; SMN2RAB9ANPC1KDM4EHPGD

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 23 patents — showing the first 20. 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2023-05-09 US 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
US-20150079081-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-19 US disclosed
US-8883799-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-11-11 US disclosed
US-20140065136-A1 DIOXINO- AND OXAZIN-[2,3-D]PYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-06 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US 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
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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 (14 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 HCAR3 1806/4885SMN1; SMN2 1815/4885RAB9A 642/4885
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB HCAR3 3930/4885SMN1; SMN2 3820/4885RAB9A 806/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS HCAR3 1806/4885SMN1; SMN2 1815/4885RAB9A 642/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS HCAR3 2797/4885SMN1; SMN2 1484/4885RAB9A 1590/4885
US-20140065136-A1 DIOXINO- AND OXAZIN-[2,3-D]PYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB HCAR3 1262/4885SMN1; SMN2 4532/4885RAB9A 4099/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS HCAR3 2797/4885SMN1; SMN2 1484/4885RAB9A 1590/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HCAR3 1931/4885SMN1; SMN2 2134/4885RAB9A 4186/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR HCAR3 2913/4885SMN1; SMN2 3443/4885RAB9A 1822/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS HCAR3 2797/4885SMN1; SMN2 1484/4885RAB9A 1590/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB HCAR3 3930/4885SMN1; SMN2 3820/4885RAB9A 806/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS HCAR3 1806/4885SMN1; SMN2 1815/4885RAB9A 642/4885
US-20150079081-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA HCAR3 3553/4885SMN1; SMN2 3081/4885RAB9A 2284/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG HCAR3 1792/4885SMN1; SMN2 2114/4885RAB9A 1546/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD HCAR3 1942/4885SMN1; SMN2 2248/4885RAB9A 4182/4885

“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.