SCHEMBL2743690

SCHEMBL2743690

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SCD O00767 1/20 0.44
HDAC1 Q13547 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL2743487 0.91 MAP3K5 (0.50) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL2743469 0.88 MAP3K5 (0.47) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL2743651 0.88 LRRK2 (0.48) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL2743616 0.87 MAP3K5 (0.47) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL2743449 0.87 NPC1 (0.47) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL2743626 0.85 MAP3K5 (0.60) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL2743559 0.85 MEN1 (0.57) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2743973 0.84 RORC (0.46) MAP3K5MEN1KMT2ANPC1RAB9A
SCHEMBL857341 0.84 NPC1 (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2743767 0.82 MAP3K5 (0.42) MAP3K5MEN1KMT2ANPC1RAB9A

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 MAP3K5 8/4885MEN1 3266/4885KMT2A 4108/4885

“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.