SCHEMBL2743973

SCHEMBL2743973

O=C(Nc1nc2ccc(Br)nc2s1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
MAP3K5 Q99683 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KDM4E B2RXH2 5/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LRRK2 Q5S007 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SCD O00767 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RORA P35398 1/20 0.39
RORB Q92753 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
SCHEMBL2743651 0.89 LRRK2 (0.48) MAP3K5NPC1RAB9AKDM4ENFKB1
SCHEMBL2743616 0.89 MAP3K5 (0.47) MAP3K5NPC1RAB9AKDM4ENFKB1
SCHEMBL2743487 0.86 MAP3K5 (0.50) MAP3K5NPC1RAB9AKDM4ENFKB1
SCHEMBL2743690 0.84 MAP3K5 (0.60) MAP3K5NPC1RAB9AKDM4EMEN1
SCHEMBL2743449 0.82 NPC1 (0.47) MAP3K5NPC1RAB9AKDM4ENFKB1
SCHEMBL857341 0.81 NPC1 (0.59) NPC1RAB9AKDM4ENFKB1HTT
SCHEMBL2743469 0.81 MAP3K5 (0.47) MAP3K5NPC1RAB9AKDM4EMEN1
SCHEMBL2743559 0.80 MEN1 (0.57) NPC1RAB9AKDM4EHTTMEN1
SCHEMBL2743706 0.77 ABL1 (0.40) RORCMAP3K5NPC1RAB9AKDM4E
SCHEMBL2743767 0.75 MAP3K5 (0.42) MAP3K5NPC1RAB9AKDM4EHTT

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 RORC 3281/4885MAP3K5 8/4885NPC1 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.