SCHEMBL1945252

SCHEMBL1945252

CN(c1nn2c(-c3cccc(OC(F)(F)F)c3)cnc2s1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.52
PIM1 P11309 10/20 0.50
KCNH2 Q12809 3/20 0.50
FYN P06241 2/20 0.48
GAK O14976 1/20 0.47
STK10 O94804 1/20 0.47
YES1 P07947 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
CSNK2A2 P19784 1/20 0.47
FLT3 P36888 1/20 0.47
ACVR1 Q04771 1/20 0.47
PKN1 Q16512 1/20 0.47
PIM3 Q86V86 1/20 0.47
HASPIN Q8TF76 1/20 0.47
SIK2 Q9H0K1 1/20 0.47
SLK Q9H2G2 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47

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
SCHEMBL625503 0.94 PIM1 (0.52) DYRK1APIM1KCNH2FYN
SCHEMBL623013 0.89 PIM1 (0.47) DYRK1APIM1KCNH2FYNGAK
SCHEMBL2251446 0.85 DYRK1A (0.49) DYRK1APIM1KCNH2FYNPIM3
SCHEMBL624008 0.83 PIM1 (0.56) DYRK1APIM1KCNH2GAKSTK10
SCHEMBL1947244 0.83 FYN (0.57) PIM1FYN
SCHEMBL1945068 0.82 DYRK1A (0.55) DYRK1APIM1FYN
SCHEMBL1944553 0.81 DYRK1A (0.47) DYRK1APIM1FYN
SCHEMBL1946965 0.81 DYRK1A (0.55) DYRK1APIM1FYN
SCHEMBL1944248 0.80 FYN (0.43) FYN
SCHEMBL623882 0.80 DYRK1A (0.46) DYRK1APIM1KCNH2FYNFLT3

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 7 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

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 DYRK1A 630/4885PIM1 1/4885KCNH2 1746/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R DYRK1A 972/4885PIM1 72/4885KCNH2 3661/4885

“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.