SCHEMBL1946451

SCHEMBL1946451

Oc1ccc(-c2cn3nc(NCC4CCOCC4)sc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.47
MTOR P42345 1/20 0.40
PIK3CD O00329 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TTK P33981 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 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
SCHEMBL1944318 0.92 MKNK1 (0.45) FYNMKNK1MAPTTP53SMN1; SMN2
SCHEMBL1946366 0.90 FYN (0.53) FYNTTKMAPTTP53SMN1; SMN2
SCHEMBL1945164 0.89 FYN (0.46) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1945560 0.89 MAPT (0.49) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1944873 0.86 F2RL3 (0.50) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1945884 0.86 FYN (0.45) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL625324 0.86 MAPT (0.42) MTORMKNK1MAPTTP53SMN1; SMN2
SCHEMBL1945145 0.85 FYN (0.47) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1944660 0.85 FYN (0.46) FYNPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL1944445 0.84 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 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 1977/4885MTOR 244/4885PIK3CD 741/4885

“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.