SCHEMBL1944066

SCHEMBL1944066

COc1ccc(-c2cn3nc(NCCc4ccc(S(N)(=O)=O)cc4)sc3n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.72
CA1 P00915 12/20 0.54
CA2 P00918 12/20 0.54
CA9 Q16790 11/20 0.54
CA12 O43570 9/20 0.54
F2RL3 Q96RI0 1/20 0.44

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
SCHEMBL2253541 0.91 FYN (0.59) FYNCA1CA2CA9CA12
SCHEMBL1946389 0.86 FYN (0.68) FYNF2RL3
SCHEMBL1946803 0.86 FYN (0.68) FYNCA1CA2CA9CA12
SCHEMBL1649750 0.85 FYN (0.60) FYNCA1CA2CA9CA12
SCHEMBL1944064 0.84 FYN (1.00) FYNCA1CA2CA9
SCHEMBL30521892 0.84 FYN (1.00) FYNCA1CA2CA9
SCHEMBL1944265 0.83 CA1 (0.55) FYNCA1CA2CA9CA12
SCHEMBL1943789 0.83 CA2 (0.69) FYNCA1CA2CA9CA12
SCHEMBL1946745 0.83 FYN (0.69) FYNCA1CA2CA9CA12
SCHEMBL15603268 0.83 CA1 (0.54) 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.