SCHEMBL2743565

SCHEMBL2743565

CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(-n4ccnc4)nc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.51
RET P07949 2/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 2/20 0.49
ITK Q08881 2/20 0.49
MERTK Q12866 2/20 0.49
PRKAA1 Q13131 2/20 0.49
ROCK1 Q13464 2/20 0.49
MAP3K6 O95382 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2743726 0.94 MAP3K5 (0.51) MAP3K5RETCDK2GSK3BITK
SCHEMBL2743690 0.77 MAP3K5 (0.60) MAP3K5KMT2AMEN1RAB9AKDM4E
SCHEMBL2743626 0.77 MAP3K5 (0.60) MAP3K5KMT2AMEN1RAB9AKDM4E
SCHEMBL2743843 0.77 MAP3K5 (0.55) MAP3K5ITKROCK1KMT2AMEN1
SCHEMBL2743905 0.75 MAP3K5 (0.45) MAP3K5KMT2AMEN1MAPT
SCHEMBL2743606 0.75 MAP3K5 (0.41) MAP3K5KMT2AMEN1RAB9AKDM4E
SCHEMBL2743490 0.74 SCD (0.45) MAP3K5KMT2AMEN1RAB9ANPC1
SCHEMBL2743929 0.74 MAP3K5 (0.42) MAP3K5KMT2AMEN1RAB9AKDM4E
SCHEMBL2743488 0.73 SMN1; SMN2 (0.48) MAP3K5RAB9AMAPTSMN1; SMN2
SCHEMBL2743588 0.73 HDAC3 (0.44) MAP3K5KMT2AMEN1RAB9AKDM4E

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 8/4885RET 1000/4885CDK2 302/4885

“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.