SCHEMBL1944643

SCHEMBL1944643

c1ccc(-c2cn3nc(NCCc4ccncc4)sc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
FYN P06241 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 2/20 0.49
PKM P14618 1/20 0.49
RECQL P46063 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 4/20 0.48
F2RL3 Q96RI0 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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 0.94 FYN (0.58) TP53KDM4EGAAHTTFYN
SCHEMBL1945450 0.90 FYN (0.52) TP53KDM4EGAAHTTFYN
SCHEMBL1946597 0.90 MAPT (0.51) TP53KDM4EGAAHTTFYN
SCHEMBL1946118 0.89 FYN (0.48) TP53KDM4EGAAHTTFYN
SCHEMBL1945445 0.88 TP53 (0.56) TP53KDM4EFYNSMN1; SMN2NPC1
SCHEMBL1946575 0.87 F2RL3 (0.52) TP53KDM4EGAAHTTFYN
SCHEMBL1945387 0.87 F2RL3 (0.52) TP53KDM4EGAAHTTFYN
SCHEMBL1944821 0.87 FYN (0.48) TP53KDM4EGAAHTTFYN
SCHEMBL1946545 0.87 F2RL3 (0.52) TP53KDM4EGAAHTTFYN
SCHEMBL1944600 0.85 FYN (0.52) TP53KDM4EGAAHTTFYN

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 TP53 237/4885KDM4E 2685/4885GAA 4051/4885

“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.