SCHEMBL2743488

SCHEMBL2743488

CN1CCN(c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 2/20 0.43
MAP3K5 Q99683 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPV4 Q9HBA0 5/20 0.42
LRRK2 Q5S007 6/20 0.42
TYR P14679 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2743905 0.92 MAP3K5 (0.45) TP53MAPTMAP3K5LRRK2TYR
SCHEMBL2743490 0.91 SCD (0.45) SMN1; SMN2TP53MAPTRAB9AMAP3K5
SCHEMBL2743373 0.90 MAPT (0.45) SMN1; SMN2TP53MAPTRAB9AMAP3K5
SCHEMBL2743929 0.90 MAP3K5 (0.42) SMN1; SMN2TP53MAPTRAB9AMAP3K5
SCHEMBL2743588 0.89 HDAC3 (0.44) RAB9AMAP3K5LRRK2TYRHDAC3
SCHEMBL2743511 0.89 LRRK2 (0.55) SMN1; SMN2MAPTMAP3K5LRRK2
SCHEMBL2744299 0.88 RXFP1 (0.42) SMN1; SMN2TP53MAPTRAB9AMAP3K5
SCHEMBL2743593 0.88 MAP3K5 (0.42) TP53RAB9AMAP3K5LRRK2TYR
SCHEMBL2743728 0.85 MAP3K5 (0.41) TP53MAP3K5LRRK2TYR
SCHEMBL2743578 0.85 PTGER4 (0.43) MAPTRAB9AMAP3K5TRPV4LRRK2

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 SMN1; SMN2 2374/4885TP53 118/4885MAPT 1024/4885

“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.