SCHEMBL1945164

SCHEMBL1945164

OCc1ccc(-c2cn3nc(NCC4CCOCC4)sc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.46
MAPT P10636 7/20 0.41
TP53 P04637 2/20 0.41
PIK3CD O00329 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
POLB P06746 1/20 0.38
TTK P33981 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
VCP P55072 1/20 0.36

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
SCHEMBL1945276 0.92 MAPT (0.45) FYNMAPTTP53POLBGAA
SCHEMBL1946451 0.89 FYN (0.47) FYNMAPTTP53PIK3CDPI4KA
SCHEMBL1946366 0.88 FYN (0.53) FYNMAPTTP53TTK
SCHEMBL1945560 0.87 MAPT (0.49) FYNMAPTTP53PIK3CDPI4KA
SCHEMBL1944873 0.84 F2RL3 (0.50) FYNMAPTTP53PIK3CDPI4KA
SCHEMBL1945884 0.84 FYN (0.45) FYNMAPTTP53PIK3CDPI4KA
SCHEMBL1944439 0.84 TTK (0.45) FYNTTKGAA
SCHEMBL1944660 0.83 FYN (0.46) FYNMAPTTP53PIK3CDPI4KA
SCHEMBL1946849 0.83 FYN (0.43) FYNMAPTPIK3CDPI4KAPIK3CG
SCHEMBL1944445 0.82 FYN (0.47) FYNTP53PIK3CDPI4KAPIK3CG

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
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 (1 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885MAPT 4021/4885TP53 237/4885

“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.