SCHEMBL1944243

SCHEMBL1944243

Fc1cccc(-c2cn3nc(NC4CCCCC4)sc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.62
F2RL3 Q96RI0 3/20 0.55
MAP4K4 O95819 1/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
THRB P10828 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1944689 0.90 FYN (0.65) FYNF2RL3MAP4K4
SCHEMBL1944785 0.87 F2RL3 (0.55) FYNF2RL3MAPTRXFP1NPC1
SCHEMBL1945224 0.86 F2RL3 (0.57) FYNF2RL3TP53MAPTNPC1
SCHEMBL1946233 0.84 FYN (0.56) FYNMAPTRXFP1NPC1THRB
SCHEMBL1945312 0.84 FYN (0.45) FYNF2RL3MAPTRXFP1THRB
SCHEMBL1946551 0.83 FYN (0.43) FYNF2RL3TP53MAPTNPC1
SCHEMBL1947328 0.83 FYN (0.54) FYNF2RL3TP53MAPTNPC1
SCHEMBL1945112 0.82 FYN (0.49) FYNMAPTRXFP1NPC1RAB9A
SCHEMBL1947371 0.82 FYN (0.68) FYNMAPTRXFP1THRBSMN1; SMN2
SCHEMBL1948007 0.81 CCNA2 (0.47) FYNTP53NPC1RAB9AADORA2A

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 FYN 1977/4885F2RL3 1121/4885MAP4K4 444/4885

“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.