SCHEMBL1944832

SCHEMBL1944832

COCCNc1nn2cc(-c3cc(OC)c(OC)c(OC)c3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
FYN P06241 2/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2RL3 Q96RI0 12/20 0.41

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
SCHEMBL1943616 0.89 FYN (0.47) FYNMAPTKDM4EALDH1A1LMNA
SCHEMBL1650858 0.87 EGFR (0.43) EGFRFYNMAPTTP53SMN1; SMN2
SCHEMBL1651343 0.87 EGFR (0.48) EGFRFYNMAPTKDM4EALDH1A1
SCHEMBL1945843 0.86 FYN (0.44) FYNMAPTKDM4EALDH1A1LMNA
SCHEMBL1944678 0.84 FYN (0.51) EGFRFYNMAPTTP53SMN1; SMN2
SCHEMBL1652863 0.83 FYN (0.66) EGFRFYNMAPTGAASMN1; SMN2
SCHEMBL1651226 0.82 IDO1 (0.45) FYNMAPTKDM4EALDH1A1LMNA
SCHEMBL1947874 0.81 F2RL3 (0.57) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL1651704 0.81 FYN (0.49) EGFRFYNKDM4EALDH1A1SMN1; SMN2
SCHEMBL1944427 0.81 FYN (0.45) FYNMAPTKDM4EALDH1A1LMNA

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 55/4885FYN 1977/4885MAPT 4021/4885

“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.