SCHEMBL2743537

SCHEMBL2743537

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCNC(=O)C4)nc3s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
MAP3K5 Q99683 1/20 0.40
LRRK2 Q5S007 8/20 0.39
TYR P14679 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
KDM4E B2RXH2 2/20 0.37
IKBKB O14920 1/20 0.37
ALDH1A1 P00352 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPS6KA2 Q15349 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 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
SCHEMBL2743580 0.92 MAP3K5 (0.39) MAP3K5LRRK2TYRRXFP1KDM4E
SCHEMBL2743588 0.88 HDAC3 (0.44) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743905 0.85 MAP3K5 (0.45) MAP3K5LRRK2TYRRXFP1MEN1
SCHEMBL2743490 0.84 SCD (0.45) MAP3K5LRRK2TYRRXFP1ALDH1A1
SCHEMBL2743488 0.83 SMN1; SMN2 (0.48) MAP3K5LRRK2TYRL3MBTL1RAB9A
SCHEMBL2743511 0.82 LRRK2 (0.55) MAP3K5LRRK2KDM4EALDH1A1SCD
SCHEMBL2743373 0.81 MAPT (0.45) MAP3K5LRRK2TYRKDM4EALDH1A1
SCHEMBL2743593 0.81 MAP3K5 (0.42) MAP3K5LRRK2TYRRXFP1KDM4E
SCHEMBL2743929 0.81 MAP3K5 (0.42) MAP3K5LRRK2TYRRXFP1KDM4E
SCHEMBL2743432 0.80 MAP3K5 (0.37) MAP3K5LRRK2TYRRXFP1KDM4E

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 10 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
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO 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 HPGDS 1211/4885MAP3K5 8/4885LRRK2 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.