SCHEMBL1946571

SCHEMBL1946571

FC(F)(F)c1cccc(-c2cn3nc(NCCN4CCOCC4)sc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.52
CNR2 P34972 5/20 0.47
CTSK P43235 1/20 0.47
KCNH2 Q12809 1/20 0.47
AR P10275 1/20 0.46
FYN P06241 1/20 0.45
BRAF P15056 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
LMNA P02545 2/20 0.43
TRPV4 Q9HBA0 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
IDO1 P14902 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL1946130 0.88 F2RL3 (0.49) F2RL3KCNH2FYNRAB9AIDO1
SCHEMBL1944702 0.87 PIM1 (0.55) F2RL3FYNITGB2ICAM1ITGAL
SCHEMBL1943126 0.85 ACP1 (0.52) KCNH2FYNLMNARAB9ATDP1
SCHEMBL1945395 0.84 LMNA (0.46) KCNH2FYNITGB2ICAM1ITGAL
SCHEMBL1945465 0.84 NR5A2 (0.54) FYNALDH1A1MAPTTDP1CD274
SCHEMBL1948480 0.84 CYP3A4 (0.45) KCNH2FYNITGB2ICAM1ITGAL
SCHEMBL1944618 0.84 FYN (0.45) ARFYNALDH1A1MAPTCD274
SCHEMBL1946338 0.83 F2RL3 (0.49) F2RL3BRAF
SCHEMBL1946067 0.83 F2RL3 (0.52) F2RL3CNR2ARFYN
SCHEMBL2253606 0.82 FYN (0.49) KCNH2FYNALDH1A1MAPTRAB9A

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 1121/4885CNR2 1320/4885CTSK 3469/4885

“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.