SCHEMBL2743473

SCHEMBL2743473

Cn1cc(-c2ccc3nc(NC(=O)c4ccc(C(C)(C)O)cc4)sc3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.46
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
MAP3K5 Q99683 4/20 0.42
TYR P14679 1/20 0.42
EGFR P00533 4/20 0.41
LIPG Q9Y5X9 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SCD O00767 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
WNT1 P04628 2/20 0.38
GSK3B P49841 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38

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
SCHEMBL2743543 0.83 MAP3K5 (0.46) MAP3K5TYRSCD
SCHEMBL2743589 0.82 MAP3K5 (0.43) MAP3K5TYRSCD
SCHEMBL2743438 0.81 MAP3K5 (0.43) MAP3K5TYRSCD
SCHEMBL2743617 0.81 MAP3K5 (0.44) CLK2MAP3K5TYRSCD
SCHEMBL25909739 0.80 LIPG (0.43) DYRK1ACLK2CLK3LIPGCHEK1
SCHEMBL2743331 0.78 MAP3K5 (0.44) MAP3K5TYRSCD
SCHEMBL2743487 0.77 MAP3K5 (0.50) MAP3K5TYRSCD
SCHEMBL2743792 0.76 PIK3CA (0.46) MAP3K5TYRHDAC6SCD
SCHEMBL2743488 0.76 SMN1; SMN2 (0.48) MAP3K5TYRHDAC6
SCHEMBL2743905 0.76 MAP3K5 (0.45) MAP3K5TYRSCD

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 DYRK1A 1271/4885CLK2 729/4885CLK3 808/4885

“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.