SCHEMBL1944167

SCHEMBL1944167

FC(F)(F)Oc1cccc(-c2cnc3sc(NCC4CCOCC4)nn23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.70
FYN P06241 7/20 0.65
DYRK1A Q13627 1/20 0.56
KCNH2 Q12809 2/20 0.55
PIM2 Q9P1W9 2/20 0.55
GAK O14976 1/20 0.55
STK10 O94804 1/20 0.55
YES1 P07947 1/20 0.55
RET P07949 1/20 0.55
PDGFRB P09619 1/20 0.55
CSNK2A2 P19784 1/20 0.55
FLT3 P36888 1/20 0.55
ACVR1 Q04771 1/20 0.55
PKN1 Q16512 1/20 0.55
PIM3 Q86V86 1/20 0.55
HASPIN Q8TF76 1/20 0.55
SIK2 Q9H0K1 1/20 0.55
SLK Q9H2G2 1/20 0.55
BMP2K Q9NSY1 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55

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
SCHEMBL1945251 0.94 FYN (0.64) PIM1FYNKCNH2PIM2GAK
SCHEMBL625502 0.90 PIM1 (0.69) PIM1FYNKCNH2PIM2GAK
SCHEMBL1946065 0.86 FYN (0.68) PIM1FYNKCNH2PIM2
SCHEMBL625291 0.86 PIM1 (0.68) PIM1FYNDYRK1AKCNH2
SCHEMBL624878 0.86 PIM1 (0.62) PIM1FYNKCNH2PIM2GAK
SCHEMBL1944968 0.85 FYN (0.72) PIM1FYNKCNH2PIM2FLT3
SCHEMBL623012 0.85 PIM1 (0.59) PIM1FYNKCNH2PIM2GAK
SCHEMBL624836 0.85 PIM1 (0.59) PIM1FYNKCNH2PIM2GAK
SCHEMBL1944701 0.83 PIM1 (0.70) PIM1FYNDYRK1AKCNH2PIM2
SCHEMBL1945126 0.83 FYN (0.72) PIM1FYNPIM2

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 13 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-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 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
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 PIM1 1/4885FYN 383/4885DYRK1A 630/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R PIM1 72/4885FYN 1977/4885DYRK1A 972/4885

“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.