SCHEMBL2743550

SCHEMBL2743550

CNC(=O)c1ccc(-c2ccc3nc(NC(=O)c4ccc(C(C)(C)CO)cc4)sc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.46
SCD O00767 11/20 0.45
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
PTK2B Q14289 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL2743708 0.90 MAP3K5 (0.43) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL2743782 0.87 MAP3K5 (0.41) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL2744065 0.86 PIK3CA (0.45) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL2743666 0.85 PIK3CA (0.42) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL5568531 0.84 SCD (0.46) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL2743723 0.84 SCD (0.42) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL2743624 0.84 CLK1 (0.43) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL2744291 0.83 MAP3K5 (0.42) MAP3K5SCDNPC1RAB9AMEN1
SCHEMBL1653654 0.82 SMN1; SMN2 (0.62) SCDNPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL2743469 0.82 MAP3K5 (0.47) MAP3K5SCDNPC1RAB9AMEN1

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
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
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO 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

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 8/4885SCD 1710/4885NPC1 2057/4885

“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.