SCHEMBL1944955

SCHEMBL1944955

CN(C)c1ccc(CNc2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.45
PIM1 P11309 2/20 0.42
TGFBR1 P36897 2/20 0.42
MAPK14 Q16539 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.40
FYN P06241 4/20 0.40
MAPT P10636 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 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
SCHEMBL1945045 0.89 PIM1 (0.54) F2RL3PIM1TGFBR1MAPK14FYN
SCHEMBL1944269 0.89 MAPT (0.46) F2RL3PIM1TGFBR1MAPK14NAMPT
SCHEMBL1945626 0.89 F2RL3 (0.47) F2RL3PIM1TGFBR1MAPK14NPC1
SCHEMBL1945070 0.87 NAMPT (0.49) F2RL3PIM1TGFBR1MAPK14NAMPT
SCHEMBL1946623 0.86 RAB9A (0.47) F2RL3MEN1NPC1RAB9AKMT2A
SCHEMBL1944164 0.85 F2RL3 (0.53) F2RL3MEN1NPC1RAB9AKMT2A
SCHEMBL1944019 0.83 F2RL3 (0.53) F2RL3MEN1NPC1RAB9AKMT2A
SCHEMBL1945473 0.83 RAB9A (0.49) F2RL3MEN1NPC1RAB9AKMT2A
SCHEMBL1946966 0.83 CYP3A4 (0.56) F2RL3PIM1TGFBR1MAPK14FYN
SCHEMBL1946805 0.83 RAB9A (0.53) F2RL3MEN1NPC1RAB9AKMT2A

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 1121/4885PIM1 72/4885TGFBR1 1/4885

“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.