SCHEMBL1946575

SCHEMBL1946575

Clc1cccc(-c2cn3nc(NCCc4ccncc4)sc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.52
FYN P06241 6/20 0.47
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHB4 P54760 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL1946035 0.90 F2RL3 (0.54) F2RL3FYNTP53MAPTNPC1
SCHEMBL1946597 0.88 MAPT (0.51) F2RL3FYNKDM4EGAAHTT
SCHEMBL1945387 0.88 F2RL3 (0.52) F2RL3FYNKDM4EGAAHTT
SCHEMBL1944643 0.87 TP53 (0.53) F2RL3FYNKDM4EGAAHTT
SCHEMBL1943668 0.87 FYN (0.46) F2RL3FYNKDM4EGAAHTT
SCHEMBL1945484 0.86 FYN (0.58) F2RL3FYNKDM4EGAAHTT
SCHEMBL1946118 0.85 FYN (0.48) F2RL3FYNKDM4EGAAHTT
SCHEMBL1944960 0.85 F2RL3 (0.54) F2RL3FYNEPHB4
SCHEMBL1945905 0.85 FYN (0.51) F2RL3FYNKDM4EGAAHTT
SCHEMBL1651219 0.85 FYN (0.55) 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.