SCHEMBL1944969

SCHEMBL1944969

Fc1cccc(-c2cn3nc(NCC4CCOCC4)sc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.50
FYN P06241 8/20 0.48
VCP P55072 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHRM4 P08173 2/20 0.42
CCNT1 O60563 1/20 0.41
CHRM2 P08172 1/20 0.41
PIK3CD O00329 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CCNK O75909 2/20 0.38
CDK9 P50750 2/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38

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
SCHEMBL1947246 0.93 F2RL3 (0.55) F2RL3FYNVCPKDM4EMAP4K4
SCHEMBL1945127 0.88 F2RL3 (0.50) F2RL3FYNVCPPIK3CDPI4KA
SCHEMBL1946366 0.88 FYN (0.53) F2RL3FYNKDM4ECCNKCDK9
SCHEMBL1946067 0.88 F2RL3 (0.52) F2RL3FYNVCPPIM1PIM2
SCHEMBL1944445 0.86 FYN (0.47) F2RL3FYNKDM4EPIK3CDPI4KA
SCHEMBL1946917 0.86 FYN (0.52) F2RL3FYNPIK3CDPI4KAPIK3CG
SCHEMBL1945954 0.86 FYN (0.56) FYNVCPPIK3CDPI4KAPIK3CG
SCHEMBL1944168 0.85 PIM1 (0.55) F2RL3FYNPIM1PIM2
SCHEMBL15603310 0.85 FYN (0.47) F2RL3FYNMAP4K4CCNT1PIK3CD
SCHEMBL1945248 0.83 FYN (0.50) FYNKDM4EALDH1A1

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 F2RL3 3047/4885FYN 383/4885VCP 4412/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R F2RL3 1121/4885FYN 1977/4885VCP 4470/4885

“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.