SCHEMBL3045185

SCHEMBL3045185

CCS(=O)(=O)c1cccc(-c2cc3nc(Cn4ccnc4)cn3c(Nc3cc(C)[nH]n3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
AURKB Q96GD4 4/20 0.33
AURKA O14965 2/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 3/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR2 P50052 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
NAMPT P43490 1/20 0.31
BRD4 O60885 1/20 0.31
ITK Q08881 1/20 0.31

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
SCHEMBL13221375 0.87 GSK3A (0.38) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL3027935 0.86 GSK3A (0.37) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL3039485 0.85 JAK3 (0.39) GSK3AGSK3BAURKBAURKA
SCHEMBL3037557 0.84 GSK3A (0.39) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL3041442 0.81 MAP4K2 (0.42) GSK3AGSK3BAURKBAURKAMAPK1
SCHEMBL13221378 0.81 GSK3A (0.37) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL13221379 0.77 MAP3K5 (0.35) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL3031556 0.76 GSK3A (0.39) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL13221315 0.76 GSK3A (0.41) GSK3AGSK3BAURKBAURKAITK
SCHEMBL13221323 0.75 KDM4E (0.40) GSK3AGSK3BAURKBKDM4EGAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (2 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GCK 504/4885GSK3A 217/4885GSK3B 200/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GCK 504/4885GSK3A 217/4885GSK3B 200/4885

“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.