SCHEMBL2743559

SCHEMBL2743559

COC(=O)c1ccc(C(=O)Nc2nc3ccc(Br)nc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HTT P42858 1/20 0.56
SCD O00767 9/20 0.54
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL2743449 0.87 NPC1 (0.47) MEN1KMT2AHTTSCDNPC1
SCHEMBL2743690 0.85 MAP3K5 (0.60) MEN1KMT2ASCDNPC1RAB9A
SCHEMBL857341 0.84 NPC1 (0.59) MEN1KMT2AHTTSCDNPC1
SCHEMBL2743487 0.84 MAP3K5 (0.50) MEN1KMT2AHTTSCDNPC1
SCHEMBL2743651 0.82 LRRK2 (0.48) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL2743469 0.81 MAP3K5 (0.47) MEN1KMT2ASCDNPC1RAB9A
SCHEMBL2743616 0.80 MAP3K5 (0.47) MEN1KMT2AHTTSCDNPC1
SCHEMBL2743973 0.80 RORC (0.46) MEN1KMT2AHTTSCDNPC1
SCHEMBL1558460 0.78 DYRK1A (0.58) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL4921043 0.78 ALDH1A1 (0.55) MEN1KMT2ASCDNPC1RAB9A

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 7 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 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 MEN1 3266/4885KMT2A 4108/4885HTT 2654/4885

“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.