SCHEMBL1944699

SCHEMBL1944699

COc1ccc(-c2cn3nc(NCc4cccs4)sc3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.50
PTGS2 P35354 2/20 0.45
F2 P00734 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
F2RL3 Q96RI0 5/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1945707 0.86 FYN (0.43) FYN
SCHEMBL2253417 0.85 FYN (0.54) FYNRAB9ATP53F2RL3KDM4E
SCHEMBL1946251 0.84 FYN (0.50) FYNRAB9ATP53KDM4E
SCHEMBL1943151 0.84 FYN (0.67) FYNF2RL3
SCHEMBL1945970 0.83 FYN (0.52) FYNRAB9ATP53KDM4E
SCHEMBL1650559 0.83 FYN (0.50) FYNPTGS2F2TP53KDM4E
SCHEMBL1946089 0.83 FYN (0.68) FYNF2RAB9ATP53F2RL3
SCHEMBL1944817 0.82 TP53 (0.51) FYNF2RAB9ATP53F2RL3
SCHEMBL1946444 0.82 FYN (0.53) FYNTP53F2RL3
SCHEMBL1947533 0.82 FYN (0.64) FYNF2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US disclosed
EP-2193133-A2 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-06-09 EP disclosed
WO-2009040552-A2 SUBSTITUTED IMIDAZO (2, 1-B) -1, 3, 4-THIAZOLE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2009-04-02 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 (2 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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 383/4885PTGS2 3011/4885F2 2006/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885PTGS2 565/4885F2 3002/4885

“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.