SCHEMBL1651387

SCHEMBL1651387

COc1cc(-c2cn3nc(NCC4CCOCC4)sc3n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.56
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
EGFR P00533 2/20 0.40
F2RL3 Q96RI0 8/20 0.39
CCNK O75909 1/20 0.37
CDK9 P50750 1/20 0.37
PIK3CD O00329 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL1945189 0.88 FYN (0.68) FYNALDH1A1GAAF2RL3CCNK
SCHEMBL1947142 0.83 FYN (0.68) FYNF2RL3CCNKCDK9
SCHEMBL1946744 0.83 FYN (0.56) FYNALDH1A1F2RL3
SCHEMBL1945145 0.82 FYN (0.47) FYNF2RL3CCNKCDK9PIK3CD
SCHEMBL1651226 0.82 IDO1 (0.45) FYNALDH1A1GAAMAPK1PI4KB
SCHEMBL1946052 0.82 FYN (0.53) FYNF2RL3PIK3CDPI4KAPIK3CG
SCHEMBL1946366 0.81 FYN (0.53) FYNF2RL3CCNKCDK9
SCHEMBL1946231 0.80 FYN (0.58) FYNALDH1A1GAAF2RL3
SCHEMBL1944660 0.80 FYN (0.46) FYNF2RL3CCNKCDK9PIK3CD
SCHEMBL1945560 0.80 MAPT (0.49) FYNF2RL3CCNKCDK9PIK3CD

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 11 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
JP-2011529456-A 2011-12-08 JP claimed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US claimed
EP-2307425-A1 IMIDAZOTHIADIAZOLES DERIVATIVES Merck Patent GmbH (DE) 2011-04-13 EP claimed
WO-2010012345-A1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-04 WO 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
EP-2307425-A1 IMIDAZOTHIADIAZOLES DERIVATIVES Merck Patent GmbH (DE) 2011-04-13 EP disclosed
WO-2010012345-A1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-04 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 (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 1977/4885ALDH1A1 416/4885GAA 4051/4885

“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.