SCHEMBL2743543

SCHEMBL2743543

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(-c4ccncc4)nc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.46
TYR P14679 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MCL1 Q07820 1/20 0.44
PARP1 P09874 1/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SCD O00767 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
ABL1 P00519 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL2743843 0.92 MAP3K5 (0.55) MAP3K5SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2743708 0.89 MAP3K5 (0.43) MAP3K5SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2743331 0.86 MAP3K5 (0.44) MAP3K5TYRNPC1RAB9ASCD
SCHEMBL2743792 0.84 PIK3CA (0.46) MAP3K5TYRNPC1RAB9ASCD
SCHEMBL2743589 0.84 MAP3K5 (0.43) MAP3K5TYRSMN1; SMN2NPC1RAB9A
SCHEMBL2743617 0.83 MAP3K5 (0.44) MAP3K5TYRSMN1; SMN2NPC1RAB9A
SCHEMBL2743473 0.83 DYRK1A (0.46) MAP3K5TYRSCD
SCHEMBL2743438 0.81 MAP3K5 (0.43) MAP3K5TYRSMN1; SMN2NPC1RAB9A
SCHEMBL8146900 0.81 ABL1 (0.49) SMN1; SMN2NPC1RAB9AMCL1PARP1
SCHEMBL2743487 0.81 MAP3K5 (0.50) MAP3K5TYRSMN1; SMN2NPC1RAB9A

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 MAP3K5 8/4885TYR 4199/4885SMN1; SMN2 2374/4885

“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.