SCHEMBL1946545

SCHEMBL1946545

N#Cc1ccc(-c2cn3nc(NCCc4ccncc4)sc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.52
FYN P06241 6/20 0.48
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 7/20 0.40
MAPT P10636 5/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BLM P54132 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL1945484 0.90 FYN (0.58) F2RL3FYNKDM4EGAAHTT
SCHEMBL1944643 0.87 TP53 (0.53) F2RL3FYNKDM4EGAAHTT
SCHEMBL1946597 0.86 MAPT (0.51) F2RL3FYNKDM4EGAAHTT
SCHEMBL1944821 0.83 FYN (0.48) F2RL3FYNKDM4EGAAHTT
SCHEMBL1945450 0.82 FYN (0.52) FYNKDM4EGAAHTTTP53
SCHEMBL1944600 0.82 FYN (0.52) FYNKDM4EGAAHTTTP53
SCHEMBL1947270 0.81 F2RL3 (0.55) F2RL3FYNKDM4ETP53MAPT
SCHEMBL1946118 0.81 FYN (0.48) F2RL3FYNKDM4EGAAHTT
SCHEMBL1947813 0.81 F2RL3 (0.63) F2RL3KDM4EGAAHTTTP53
SCHEMBL1946575 0.79 F2RL3 (0.52) F2RL3FYNKDM4EGAAHTT

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 1121/4885FYN 1977/4885KDM4E 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.