SCHEMBL1945924

SCHEMBL1945924

COc1ccc(-c2cn3nc(NC4CCC(O)CC4)sc3n2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.66
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F2RL3 Q96RI0 4/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SSTR5 P35346 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 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
SCHEMBL1946301 0.91 FYN (0.54) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1651561 0.90 FYN (0.53) FYNF2RL3EGFRINSRLCK
SCHEMBL2255826 0.89 FYN (0.52) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL623928 0.85 FYN (0.49) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1946265 0.84 FYN (0.68) FYN
SCHEMBL1946951 0.83 FYN (0.60) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1946144 0.82 PIM1 (0.48) FYNNPC1RAB9AF2RL3KDM4E
SCHEMBL1944216 0.82 MAPT (0.51) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1946929 0.82 TP53 (0.51) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1945407 0.81 FYN (0.46) FYNNPC1RAB9AF2RL3MAPT

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 5 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
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 FYN 1977/4885NPC1 3811/4885RAB9A 2542/4885

“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.