SCHEMBL2743905

SCHEMBL2743905

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCCC4)nc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.45
TYR P14679 1/20 0.44
LRRK2 Q5S007 8/20 0.43
RXFP1 Q9HBX9 2/20 0.43
SCD O00767 1/20 0.43
MAOB P27338 2/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2743490 0.99 SCD (0.45) MAP3K5TYRLRRK2RXFP1SCD
SCHEMBL2743488 0.92 SMN1; SMN2 (0.48) MAP3K5TYRLRRK2MAPTTP53
SCHEMBL2743511 0.91 LRRK2 (0.55) MAP3K5LRRK2SCDMAPT
SCHEMBL2743588 0.91 HDAC3 (0.44) MAP3K5TYRLRRK2MEN1KMT2A
SCHEMBL2743929 0.90 MAP3K5 (0.42) MAP3K5TYRLRRK2RXFP1SCD
SCHEMBL2743593 0.90 MAP3K5 (0.42) MAP3K5TYRLRRK2RXFP1SCD
SCHEMBL2743373 0.90 MAPT (0.45) MAP3K5TYRLRRK2SCDMAPT
SCHEMBL2744299 0.88 RXFP1 (0.42) MAP3K5TYRLRRK2RXFP1MAPT
SCHEMBL2743728 0.87 MAP3K5 (0.41) MAP3K5TYRLRRK2RXFP1TP53
SCHEMBL2743578 0.87 PTGER4 (0.43) MAP3K5TYRLRRK2SCDMAPT

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 MAP3K5 8/4885TYR 4199/4885LRRK2 313/4885

“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.