SCHEMBL1944909

SCHEMBL1944909

CC(C)c1ccc(-c2cnc3sc(NCc4ccc(F)cc4)nn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.61
MKNK1 Q9BUB5 1/20 0.54
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
PIM1 P11309 2/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 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
SCHEMBL1944399 0.89 FYN (0.67) FYNMKNK1GAATP53MAPT
SCHEMBL1944773 0.88 FYN (0.80) FYNMKNK1GAATP53MAPT
SCHEMBL1945049 0.87 FYN (0.69) FYNMKNK1GAAKDM4EMEN1
SCHEMBL1947657 0.87 FYN (0.58) FYNMKNK1GAATP53MAPT
SCHEMBL2257198 0.85 FYN (0.84) FYNMKNK1GAAKDM4EMEN1
SCHEMBL2251734 0.85 PIM1 (0.65) FYNMKNK1GAAKDM4EMEN1
SCHEMBL1945362 0.83 FYN (0.78) FYNMKNK1GAAKDM4EALDH1A1
SCHEMBL1945998 0.81 FYN (0.64) FYNGAAKDM4EALDH1A1TP53
SCHEMBL1944151 0.81 MKNK1 (0.79) FYNMKNK1GAATP53MAPT
SCHEMBL1946176 0.81 FYN (0.72) FYNPIM1KITFLT3CDK7

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-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885MKNK1 860/4885GAA 4051/4885

“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.