SCHEMBL3494016

SCHEMBL3494016

COC(=O)c1ccnc(Nc2ccc(SC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GBA1 P04062 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 4/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47

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
SCHEMBL3493071 0.86 NPC1 (0.51) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3492940 0.83 ROCK1 (0.50) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3494189 0.75 NPC1 (0.39) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3492442 0.75 ROCK1 (0.57) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL25487650 0.75 KDM4E (0.58) ROCK1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL3493205 0.74 NPC1 (0.52) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10186990 0.73 SMN1; SMN2 (0.59) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3493131 0.73 HDAC1 (0.54) ROCK1SMN1; SMN2MAPTNPC1ALOX15
SCHEMBL2309698 0.72 KDM4E (0.55) ROCK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL31095588 0.72 KDM4E (0.55) ROCK1SMN1; SMN2MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP ROCK1 351/4885SMN1; SMN2 1036/4885MAPT 368/4885

“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.