SCHEMBL2743490

SCHEMBL2743490

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCCCC4)nc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
MAP3K5 Q99683 1/20 0.44
TYR P14679 1/20 0.44
MAOB P27338 4/20 0.43
LRRK2 Q5S007 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
APAF1 O14727 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2743905 0.99 MAP3K5 (0.45) SCDMAP3K5TYRMAOBLRRK2
SCHEMBL2743488 0.91 SMN1; SMN2 (0.48) MAP3K5TYRLRRK2MAPTRAB9A
SCHEMBL2743511 0.90 LRRK2 (0.55) SCDMAP3K5LRRK2MAPTLMNA
SCHEMBL2743588 0.90 HDAC3 (0.44) MAP3K5TYRLRRK2MEN1KMT2A
SCHEMBL2743929 0.89 MAP3K5 (0.42) SCDMAP3K5TYRLRRK2RXFP1
SCHEMBL2743593 0.89 MAP3K5 (0.42) SCDMAP3K5TYRLRRK2RXFP1
SCHEMBL2743373 0.89 MAPT (0.45) SCDMAP3K5TYRLRRK2MAPT
SCHEMBL2744299 0.87 RXFP1 (0.42) MAP3K5TYRLRRK2RXFP1MAPT
SCHEMBL2743728 0.86 MAP3K5 (0.41) MAP3K5TYRLRRK2RXFP1LMNA
SCHEMBL2743578 0.86 PTGER4 (0.43) SCDMAP3K5TYRLRRK2MAPT

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 SCD 1710/4885MAP3K5 8/4885TYR 4199/4885

“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.