SCHEMBL1946803

SCHEMBL1946803

COc1ccc(-c2cn3nc(NCCc4ccc(S(N)(=O)=O)cc4)sc3n2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.68
CA1 P00915 14/20 0.54
CA2 P00918 14/20 0.54
CA9 Q16790 14/20 0.54
CA12 O43570 12/20 0.54
CA4 P22748 1/20 0.52
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL1649750 0.92 FYN (0.60) FYNCA1CA2CA9CA12
SCHEMBL1944066 0.86 FYN (0.72) FYNCA1CA2CA9CA12
SCHEMBL1945037 0.85 FYN (0.65) FYNMEN1MAPTMAPK1KMT2A
SCHEMBL1946905 0.84 CA1 (0.55) FYNCA1CA2CA9CA12
SCHEMBL1652931 0.83 FYN (0.58) FYNCA1CA2CA9CA12
SCHEMBL1944265 0.83 CA1 (0.55) FYNCA1CA2CA9CA12
SCHEMBL1943789 0.83 CA2 (0.69) FYNCA1CA2CA9CA12
SCHEMBL1946953 0.83 CA1 (0.55) FYNCA1CA2CA9CA12
SCHEMBL15603268 0.83 CA1 (0.54) FYNCA1CA2CA9CA12
SCHEMBL1946827 0.82 FYN (0.55) FYNCA1CA2CA9CA12

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 1977/4885CA1 4158/4885CA2 2566/4885

“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.