SCHEMBL1945145

SCHEMBL1945145

Cc1cc(-c2cn3nc(NCC4CCOCC4)sc3n2)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.47
PIK3CD O00329 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTK P33981 7/20 0.36
CCNK O75909 2/20 0.36
CDK9 P50750 2/20 0.36
F2RL3 Q96RI0 2/20 0.36
CYP3A4 P08684 2/20 0.35

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
SCHEMBL1945923 0.93 MAPT (0.42) FYNMAPTTP53SMN1; SMN2F2RL3
SCHEMBL1946451 0.85 FYN (0.47) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1651387 0.82 FYN (0.56) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1946366 0.82 FYN (0.53) FYNMAPTTP53SMN1; SMN2TTK
SCHEMBL1945189 0.82 FYN (0.68) FYNMAPTCCNKCDK9F2RL3
SCHEMBL1945164 0.82 FYN (0.46) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1945560 0.81 MAPT (0.49) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1945954 0.81 FYN (0.56) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1945884 0.81 FYN (0.45) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1944445 0.81 FYN (0.47) FYNPIK3CDPI4KAPIK3CGPI4KB

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 4 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
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 1977/4885PIK3CD 741/4885PI4KA 95/4885

“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.