SCHEMBL1945112

SCHEMBL1945112

CC(=O)Nc1cccc(-c2cn3nc(NC4CCCCC4)sc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TTK P33981 1/20 0.45
MAPK8 P45983 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CNR1 P21554 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 1/20 0.43
BRAF P15056 1/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1947787 0.92 FYN (0.53) FYNKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL1946233 0.89 FYN (0.56) FYNALDH1A1NPC1RXFP1HRH3
SCHEMBL1945234 0.86 FYN (0.67) FYNKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL1947371 0.83 FYN (0.68) FYNSMN1; SMN2RXFP1HRH3MAPT
SCHEMBL1945872 0.83 FYN (0.47) FYNKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL1944785 0.82 F2RL3 (0.55) FYNNPC1RAB9ARXFP1MAPT
SCHEMBL1944243 0.82 FYN (0.62) FYNSMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL15603196 0.81 FYN (0.66) FYNSMN1; SMN2MAPK8NPC1RAB9A
SCHEMBL1945109 0.80 FYN (0.75) FYN
SCHEMBL1945224 0.79 F2RL3 (0.57) FYNALDH1A1NPC1RAB9AMAPT

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 1977/4885KDM4E 2685/4885ALDH1A1 416/4885

“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.