SCHEMBL1945248

SCHEMBL1945248

CC(=O)Nc1cccc(-c2cn3nc(NCC4CCOCC4)sc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.50
RIPK3 Q9Y572 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TTK P33981 1/20 0.42
BRAF P15056 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL1945872 0.94 FYN (0.47) FYNKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1945954 0.90 FYN (0.56) FYNTTK
SCHEMBL1946149 0.87 FYN (0.47) FYNKDM4EALDH1A1NPC1RAB9A
SCHEMBL1945329 0.84 FYN (0.70) FYN
SCHEMBL1945127 0.83 F2RL3 (0.50) FYNMAPTRXFP1
SCHEMBL1944969 0.83 F2RL3 (0.50) FYNKDM4EALDH1A1
SCHEMBL2250766 0.83 FYN (0.53) FYNKDM4ESMN1; SMN2MAPTTHRB
SCHEMBL1946366 0.83 FYN (0.53) FYNKDM4ESMN1; SMN2TTKMAPT
SCHEMBL1946917 0.83 FYN (0.52) FYNRIPK3
SCHEMBL15603310 0.82 FYN (0.47) FYNTTKMAPT

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 1977/4885RIPK3 469/4885KDM4E 2685/4885

“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.