SCHEMBL3214756

SCHEMBL3214756

CCOC(=O)C(=O)c1cccc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.58
CD274 Q9NZQ7 1/20 0.58
GSK3B P49841 2/20 0.53
ELANE P08246 1/20 0.47
GRM5 P41594 3/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GPR35 Q9HC97 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL14152784 0.86 PDCD1 (0.51) PDCD1CD274GSK3BELANEGRM5
SCHEMBL14152783 0.86 PDCD1 (0.51) PDCD1CD274GSK3BELANEGRM5
SCHEMBL14152782 0.86 PDCD1 (0.51) PDCD1CD274GSK3BELANEGRM5
SCHEMBL1505251 0.84 GSK3B (0.55) PDCD1CD274GSK3BELANEGRM5
SCHEMBL9863135 0.84 ALDH1A1 (0.56) CYP1A2ALDH1A1MAPTGPR35L3MBTL1
SCHEMBL3410231 0.83 PDCD1 (0.51) PDCD1CD274GSK3BELANEGRM5
SCHEMBL3410229 0.83 PDCD1 (0.51) PDCD1CD274GSK3BELANEGRM5
SCHEMBL7451541 0.83 PDCD1 (0.53) PDCD1CD274GSK3BELANEGRM5
SCHEMBL28710182 0.83 GSK3B (0.55) PDCD1CD274GSK3BELANEGRM5
SCHEMBL7451536 0.83 PDCD1 (0.53) PDCD1CD274GSK3BELANEGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349965-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-10-26 CN disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2020-05-20 EP disclosed
EP-3383872-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-10 EP disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 US disclosed
CN-108349965-A 1,3,4- thiadiazole compounds and its purposes in treating cancer 阿斯利康(瑞典)有限公司 2018-07-31 CN disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 US disclosed
WO-2017093301-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 WO disclosed
WO-2017093301-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 WO disclosed
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 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 (2 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-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLRX3 PDCD1 2318/4885CD274 4101/4885GSK3B 3761/4885
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLRX3 PDCD1 2318/4885CD274 4101/4885GSK3B 3761/4885

“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.