SCHEMBL1944873

SCHEMBL1944873

N#Cc1ccc(-c2cn3nc(NCC4CCOCC4)sc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.50
TTK P33981 3/20 0.48
EGLN2 Q96KS0 4/20 0.46
FYN P06241 5/20 0.45
VNN1 O95497 1/20 0.39
PIK3CD O00329 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL1944613 0.93 F2RL3 (0.55) F2RL3TTKEGLN2FYNKDM4E
SCHEMBL1946366 0.87 FYN (0.53) F2RL3TTKFYNKDM4EMAPT
SCHEMBL1945560 0.86 MAPT (0.49) F2RL3FYNPIK3CDPI4KAPIK3CG
SCHEMBL1946451 0.86 FYN (0.47) F2RL3TTKFYNPIK3CDPI4KA
SCHEMBL1945164 0.84 FYN (0.46) TTKFYNPIK3CDPI4KAPIK3CG
SCHEMBL1945884 0.84 FYN (0.45) F2RL3FYNPIK3CDPI4KAPIK3CG
SCHEMBL1944660 0.82 FYN (0.46) F2RL3TTKFYNPIK3CDPI4KA
SCHEMBL1944445 0.82 FYN (0.47) F2RL3TTKFYNPIK3CDPI4KA
SCHEMBL1945204 0.81 FYN (0.66) TTKFYNPIK3CDPI4KAPIK3CG
SCHEMBL1945394 0.81 CD274 (0.49) F2RL3EGLN2FYNKDM4EMKNK1

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 4 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-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 F2RL3 1121/4885TTK 934/4885EGLN2 3024/4885

“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.