SCHEMBL1946651

SCHEMBL1946651

COCCNc1nn2cc(-c3cccc(C(F)(F)F)c3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 11/20 0.64
UBE2N P61088 1/20 0.44
CTSK P43235 1/20 0.44
KCNH2 Q12809 1/20 0.44
MALT1 Q9UDY8 1/20 0.42
GPR52 Q9Y2T5 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TLR8 Q9NR97 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
SCHEMBL1944433 0.87 F2RL3 (0.62) F2RL3TP53MAPTSMN1; SMN2KDM4E
SCHEMBL1944086 0.86 F2RL3 (0.51) F2RL3TP53MAPTGAA
SCHEMBL1943679 0.85 F2RL3 (0.62) F2RL3MALT1TP53MAPTSMN1; SMN2
SCHEMBL1947874 0.84 F2RL3 (0.57) F2RL3TP53MAPTSMN1; SMN2KDM4E
SCHEMBL1947476 0.84 F2RL3 (0.61) F2RL3TP53MAPTSMN1; SMN2KDM4E
SCHEMBL15603263 0.83 FYN (0.46) F2RL3TP53MAPTSMN1; SMN2KDM4E
SCHEMBL1944503 0.83 F2RL3 (0.44) F2RL3TP53MAPTSMN1; SMN2KDM4E
SCHEMBL15603279 0.83 F2RL3 (0.63) F2RL3TP53MAPTSMN1; SMN2
SCHEMBL1944960 0.82 F2RL3 (0.54) F2RL3
SCHEMBL1947329 0.82 F2RL3 (0.44) F2RL3TP53MAPTSMN1; SMN2KDM4E

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 1121/4885UBE2N 4476/4885CTSK 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.