SCHEMBL1945964

SCHEMBL1945964

Cc1ccccc1CNc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.46
FYN P06241 2/20 0.43
MAPT P10636 3/20 0.42
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
TGFBR1 P36897 3/20 0.41
MAPK14 Q16539 1/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL1945626 0.87 F2RL3 (0.47) F2RL3FYNMAPTTGFBR1MAPK14
SCHEMBL1947064 0.86 F2RL3 (0.57) F2RL3FYNMAPTTGFBR1TRPA1
SCHEMBL1943815 0.85 F2RL3 (0.54) F2RL3FYNMAPTTGFBR1LMNA
SCHEMBL1945045 0.84 PIM1 (0.54) F2RL3FYNMAPTTGFBR1MAPK14
SCHEMBL1945474 0.83 FYN (0.46) F2RL3FYNMAPTTGFBR1LMNA
SCHEMBL1945070 0.83 NAMPT (0.49) F2RL3FYNTGFBR1MAPK14CYP2D6
SCHEMBL1944269 0.83 MAPT (0.46) F2RL3FYNMAPTTGFBR1MAPK14
SCHEMBL1946612 0.83 F2RL3 (0.49) F2RL3FYNMAPTTP53
SCHEMBL1946050 0.83 F2RL3 (0.54) F2RL3FYNMAPTTGFBR1LMNA
SCHEMBL1944555 0.83 F2RL3 (0.45) F2RL3FYNMAPTLMNASMN1; SMN2

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 1121/4885FYN 1977/4885MAPT 4021/4885

“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.