SCHEMBL2743373

SCHEMBL2743373

CC(=O)N1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP3K5 Q99683 1/20 0.42
LRRK2 Q5S007 8/20 0.41
MAP4K4 O95819 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TYR P14679 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 2/20 0.39
ITK Q08881 2/20 0.39

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
SCHEMBL2743488 0.90 SMN1; SMN2 (0.48) MAPTTP53MAP3K5LRRK2RAB9A
SCHEMBL2743905 0.90 MAP3K5 (0.45) MAPTTP53MAP3K5LRRK2TYR
SCHEMBL2743490 0.89 SCD (0.45) MAPTTP53USP2MAPK1MAP3K5
SCHEMBL2743588 0.87 HDAC3 (0.44) MAP3K5LRRK2NPC1RAB9ATYR
SCHEMBL2743511 0.87 LRRK2 (0.55) MAPTMAP3K5LRRK2ALDH1A1HPGD
SCHEMBL2744299 0.87 RXFP1 (0.42) MAPTTP53MAPK1MAP3K5LRRK2
SCHEMBL2743929 0.86 MAP3K5 (0.42) MAPTTP53MAP3K5LRRK2NPC1
SCHEMBL2743593 0.86 MAP3K5 (0.42) TP53MAP3K5LRRK2NPC1RAB9A
SCHEMBL2743728 0.84 MAP3K5 (0.41) TP53MAP3K5LRRK2TYRALDH1A1
SCHEMBL2743578 0.84 PTGER4 (0.43) MAPTMAP3K5LRRK2MAP4K4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US claimed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAPT 1024/4885TP53 118/4885USP2 1295/4885

“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.