SCHEMBL1945276

SCHEMBL1945276

OCc1ccc(-c2cn3nc(NCC4CC4)sc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.45
TP53 P04637 5/20 0.45
MKNK1 Q9BUB5 1/20 0.43
POLB P06746 1/20 0.41
VCP P55072 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
FYN P06241 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL1945164 0.92 FYN (0.46) MAPTTP53MKNK1POLBVCP
SCHEMBL1944318 0.88 MKNK1 (0.45) MAPTTP53MKNK1POLBFYN
SCHEMBL1944253 0.87 TP53 (0.53) MAPTTP53MKNK1VCPFYN
SCHEMBL2251631 0.86 MKNK1 (0.59) MAPTTP53MKNK1VCPFYN
SCHEMBL1946964 0.83 TP53 (0.43) MAPTTP53MKNK1NPC1RAB9A
SCHEMBL1944613 0.83 F2RL3 (0.55) MAPTTP53MKNK1FYNNPC1
SCHEMBL2257601 0.83 F2RL3 (0.55) MAPTTP53MKNK1VCPNPC1
SCHEMBL1945101 0.82 KDM4E (0.45) MAPTTP53MKNK1LMNAFYN
SCHEMBL1945991 0.81 MKNK1 (0.46) MAPTTP53MKNK1VCPFYN
SCHEMBL1944710 0.81 TP53 (0.47) MAPTTP53FYNNPC1RAB9A

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 237/4885MKNK1 860/4885

“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.