SCHEMBL1945232

SCHEMBL1945232

COc1cc(-c2cn3nc(NCc4ccco4)sc3n2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.55
ALDH1A1 P00352 9/20 0.51
MAPT P10636 8/20 0.51
HSD17B10 Q99714 6/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 4/20 0.51
MEN1 O00255 4/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
KDM4E B2RXH2 7/20 0.46
HPGD P15428 5/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL1946565 0.92 ALDH1A1 (0.56) PIK3CGALDH1A1MAPTHSD17B10KMT2A
SCHEMBL1652881 0.84 FYN (0.54) ALDH1A1MAPTHSD17B10KMT2ASMN1; SMN2
SCHEMBL1944391 0.83 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10KMT2ASMN1; SMN2
SCHEMBL1651950 0.83 MAPT (0.47) ALDH1A1MAPTHSD17B10KMT2ASMN1; SMN2
SCHEMBL1945134 0.82 FYN (0.66) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL1946251 0.82 FYN (0.50) PIK3CGALDH1A1MAPTHSD17B10KMT2A
SCHEMBL1944379 0.81 FYN (0.55) ALDH1A1MAPTHSD17B10KMT2ASMN1; SMN2
SCHEMBL1945218 0.81 TP53 (0.53) ALDH1A1MAPTHSD17B10KMT2ASMN1; SMN2
SCHEMBL1945843 0.81 FYN (0.44) ALDH1A1MAPTSMN1; SMN2GAATP53
SCHEMBL1945229 0.80 PIK3CG (0.71) PIK3CGFYN

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 9 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-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 PIK3CG 315/4885ALDH1A1 2966/4885MAPT 3189/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R PIK3CG 1492/4885ALDH1A1 416/4885MAPT 4021/4885

“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.