SCHEMBL2743593

SCHEMBL2743593

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCC(O)CC4)nc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.42
LRRK2 Q5S007 8/20 0.41
PTGER4 P35408 2/20 0.41
FGFR1 P11362 1/20 0.41
TYR P14679 1/20 0.40
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL2743752 0.94 MAP3K5 (0.41) MAP3K5LRRK2TYRTP53KDM4E
SCHEMBL2743755 0.94 MAP3K5 (0.41) MAP3K5LRRK2TYRTP53KDM4E
SCHEMBL2743905 0.90 MAP3K5 (0.45) MAP3K5LRRK2TYRTP53MEN1
SCHEMBL2743578 0.90 PTGER4 (0.43) MAP3K5LRRK2PTGER4TYRKDM4E
SCHEMBL2743728 0.90 MAP3K5 (0.41) MAP3K5LRRK2PTGER4TYRTP53
SCHEMBL2743490 0.89 SCD (0.45) MAP3K5LRRK2TYRTP53MEN1
SCHEMBL2743488 0.88 SMN1; SMN2 (0.48) MAP3K5LRRK2TYRTP53RAB9A
SCHEMBL2743511 0.87 LRRK2 (0.55) MAP3K5LRRK2KDM4ELMNASCD
SCHEMBL2743588 0.87 HDAC3 (0.44) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743602 0.87 MPL (0.43) MAP3K5LRRK2TYRTP53MEN1

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 8/4885LRRK2 313/4885PTGER4 3970/4885

“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.