SCHEMBL1945626

SCHEMBL1945626

FC(F)(F)Oc1cccc(-c2cn3nc(NCc4ccccc4)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.47
TGFBR1 P36897 2/20 0.45
MAPK14 Q16539 1/20 0.45
PIM1 P11309 2/20 0.43
TP53 P04637 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FYN P06241 2/20 0.41
NAMPT P43490 1/20 0.41
DYRK1A Q13627 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
SERPINE1 P05121 1/20 0.40

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
SCHEMBL1945070 0.92 NAMPT (0.49) F2RL3TGFBR1MAPK14PIM1CYP1A2
SCHEMBL1944269 0.92 MAPT (0.46) F2RL3TGFBR1MAPK14PIM1CYP1A2
SCHEMBL1945045 0.91 PIM1 (0.54) F2RL3TGFBR1MAPK14PIM1TP53
SCHEMBL1946966 0.90 CYP3A4 (0.56) F2RL3TGFBR1MAPK14PIM1TP53
SCHEMBL1944955 0.89 F2RL3 (0.45) F2RL3TGFBR1MAPK14PIM1TP53
SCHEMBL1945964 0.87 F2RL3 (0.46) F2RL3TGFBR1MAPK14PIM1TP53
SCHEMBL1946084 0.87 F2RL3 (0.45) F2RL3PIM1TP53DYRK1ANPC1
SCHEMBL1944555 0.86 F2RL3 (0.45) F2RL3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL1946203 0.85 F2RL3 (0.58) F2RL3TP53FYNNPC1RAB9A
SCHEMBL1946612 0.84 F2RL3 (0.49) F2RL3TP53FYNMAPT

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 1121/4885TGFBR1 1/4885MAPK14 610/4885

“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.