SCHEMBL2743752

SCHEMBL2743752

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CC[C@@H](O)C4)nc3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
LRRK2 Q5S007 8/20 0.40
TYR P14679 1/20 0.39
ABL1 P00519 1/20 0.38
P2RX7 Q99572 1/20 0.37
TP53 P04637 1/20 0.37
MELK Q14680 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2743755 1.00 MAP3K5 (0.41) MAP3K5TRPV1LRRK2TYRABL1
SCHEMBL2743593 0.94 MAP3K5 (0.42) MAP3K5LRRK2TYRTP53KDM4E
SCHEMBL2743602 0.89 MPL (0.43) MAP3K5LRRK2TYRTP53MEN1
SCHEMBL2743730 0.89 MPL (0.43) MAP3K5LRRK2TYRTP53MEN1
SCHEMBL2743599 0.89 MPL (0.43) MAP3K5LRRK2TYRTP53MEN1
SCHEMBL2743618 0.88 PTGER4 (0.45) MAP3K5LRRK2TYRABL1TP53
SCHEMBL2743905 0.86 MAP3K5 (0.45) MAP3K5LRRK2TYRTP53MEN1
SCHEMBL2743578 0.86 PTGER4 (0.43) MAP3K5LRRK2TYRKDM4EMEN1
SCHEMBL2743728 0.86 MAP3K5 (0.41) MAP3K5LRRK2TYRTP53KDM4E
SCHEMBL2743490 0.85 SCD (0.45) 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 8/4885TRPV1 3990/4885LRRK2 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.