SCHEMBL2743580

SCHEMBL2743580

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCNC(=O)CC4)nc3s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.39
RXFP1 Q9HBX9 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LRRK2 Q5S007 8/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TYR P14679 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC1 Q13547 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL2743537 0.92 HPGDS (0.40) MAP3K5RXFP1L3MBTL1LRRK2KDM4E
SCHEMBL2743588 0.89 HDAC3 (0.44) MAP3K5LRRK2KDM4ETYRMEN1
SCHEMBL2743905 0.86 MAP3K5 (0.45) MAP3K5RXFP1LRRK2TYRMEN1
SCHEMBL2743490 0.85 SCD (0.45) MAP3K5RXFP1LRRK2ALDH1A1LMNA
SCHEMBL2743488 0.84 SMN1; SMN2 (0.48) MAP3K5L3MBTL1LRRK2TYRRAB9A
SCHEMBL2743511 0.83 LRRK2 (0.55) MAP3K5LRRK2KDM4EALDH1A1LMNA
SCHEMBL2743929 0.82 MAP3K5 (0.42) MAP3K5RXFP1LRRK2KDM4EALDH1A1
SCHEMBL2743593 0.82 MAP3K5 (0.42) MAP3K5RXFP1LRRK2KDM4ELMNA
SCHEMBL2743373 0.82 MAPT (0.45) MAP3K5LRRK2KDM4EALDH1A1TYR
SCHEMBL2744299 0.81 RXFP1 (0.42) MAP3K5RXFP1LRRK2KDM4EALDH1A1

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 8/4885RXFP1 2814/4885L3MBTL1 1802/4885

“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.