SCHEMBL1944348

SCHEMBL1944348

COc1cc(-c2cn3nc(NCc4ccccc4C)sc3n2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CASR P41180 1/20 0.44
FYN P06241 2/20 0.43
F2RL3 Q96RI0 3/20 0.42
TGFBR1 P36897 2/20 0.41
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL1946937 0.91 MAPT (0.46) MAPTKDM4EGAAHPGDLMNA
SCHEMBL1650559 0.83 FYN (0.50) EGFRMAPTKDM4EHPGDLMNA
SCHEMBL1945474 0.83 FYN (0.46) MAPTKDM4ELMNAPOLBFYN
SCHEMBL1946313 0.81 FYN (0.52) MAPTKDM4ELMNAPOLBFYN
SCHEMBL1650374 0.81 FYN (0.52) KDM4EGAAHPGDPOLBFYN
SCHEMBL1943815 0.80 F2RL3 (0.54) MAPTKDM4ELMNAPOLBFYN
SCHEMBL1946050 0.80 F2RL3 (0.54) MAPTKDM4ELMNAPOLBFYN
SCHEMBL1651343 0.80 EGFR (0.48) EGFRMAPTKDM4EHPGDCASR
SCHEMBL1944832 0.79 EGFR (0.44) EGFRMAPTKDM4EGAALMNA
SCHEMBL1944678 0.79 FYN (0.51) EGFRMAPTPOLBFYNF2RL3

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 EGFR 55/4885MAPT 4021/4885KDM4E 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.