SCHEMBL1945560

SCHEMBL1945560

Clc1ccc(-c2cn3nc(NCC4CCOCC4)sc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F2RL3 Q96RI0 1/20 0.47
FYN P06241 5/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 2/20 0.42
PIK3CD O00329 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CCNK O75909 4/20 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
SCHEMBL1946366 0.90 FYN (0.53) MAPTTP53NPC1NFKB1RAB9A
SCHEMBL1946451 0.89 FYN (0.47) MAPTTP53NPC1NFKB1RAB9A
SCHEMBL1945127 0.89 F2RL3 (0.50) MAPTF2RL3FYNPIK3CDPI4KA
SCHEMBL1945884 0.89 FYN (0.45) MAPTTP53NPC1NFKB1RAB9A
SCHEMBL1945164 0.87 FYN (0.46) MAPTTP53FYNLMNAPIK3CD
SCHEMBL1944873 0.86 F2RL3 (0.50) MAPTTP53NPC1RAB9AF2RL3
SCHEMBL1944660 0.85 FYN (0.46) MAPTTP53F2RL3FYNPIK3CD
SCHEMBL1944445 0.84 FYN (0.47) TP53NPC1RAB9ASMN1; SMN2F2RL3
SCHEMBL1944650 0.84 F2RL3 (0.48) F2RL3FYNCCNKCDK9VCP
SCHEMBL1945204 0.83 FYN (0.66) FYNPIK3CDPI4KAPIK3CGPI4KB

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 MAPT 4021/4885TP53 237/4885NPC1 3811/4885

“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.