SCHEMBL1650374

SCHEMBL1650374

COc1cc(-c2cn3nc(NCc4cccnc4)sc3n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.52
RAB9A P51151 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
PGK1 P00558 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL1946470 0.91 FYN (0.53) FYNRAB9ACD274POLBPGK1
SCHEMBL1945239 0.85 FYN (0.55) FYNRAB9ACD274TP53ALDH1A1
SCHEMBL1945244 0.84 FYN (0.68) FYNRAB9ACD274POLBKDM4E
SCHEMBL1947763 0.83 FYN (0.56) FYNRAB9APOLBTP53ALDH1A1
SCHEMBL1650559 0.82 FYN (0.50) FYNPOLBTP53ALDH1A1KDM4E
SCHEMBL1943954 0.81 PIM1 (0.50) FYNRAB9ACD274POLBTP53
SCHEMBL1946641 0.81 FYN (0.48) FYNRAB9ACD274POLBTP53
SCHEMBL2253531 0.81 CCNE1 (0.51) FYNRAB9APOLBTP53ALDH1A1
SCHEMBL1944472 0.81 FYN (0.64) FYNRAB9APOLBTP53ALDH1A1
SCHEMBL1650368 0.81 FYN (0.72) FYN

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 8 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
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US claimed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US 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
EP-2307425-A1 IMIDAZOTHIADIAZOLES DERIVATIVES Merck Patent GmbH (DE) 2011-04-13 EP disclosed
WO-2010012345-A1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-04 WO 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 FYN 1977/4885RAB9A 2542/4885CD274 104/4885

“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.