SCHEMBL2924820

SCHEMBL2924820

Cc1cc(Nc2nc(-c3ccccc3)nc3cccn23)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.54
AURKB Q96GD4 11/20 0.54
GSK3B P49841 5/20 0.54
SRC P12931 4/20 0.54
GSK3A P49840 2/20 0.54
EIF2AK2 P19525 1/20 0.54
ITK Q08881 1/20 0.53
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
PLK4 O00444 1/20 0.40
PAK4 O96013 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
SCHEMBL2916720 0.85 SYK (0.41) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL2919416 0.83 AURKA (0.38) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL1268774 0.83 PAK4 (0.48) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL1299269 0.80 AURKA (0.43) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL2918010 0.78 AURKA (0.37) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL13221083 0.78 GSK3B (0.53) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL2148867 0.77 AURKA (0.47) AURKAAURKBGSK3BSRC
SCHEMBL3114466 0.75 JAK2 (0.39) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL1722352 0.75 JAK2 (0.58) AURKASRCPLK4PAK4
SCHEMBL3028207 0.75 GSK3B (0.55) AURKAAURKBGSK3BSRCGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812439-B2 KINASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-12-06 EP claimed
EP-1812439-B1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP claimed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US claimed
JP-2008516973-A 2008-05-22 JP claimed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP claimed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO claimed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 US claimed
EP-1812439-B2 KINASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-12-06 EP disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
EP-1812439-B1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP 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
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 AURKA 161/4885AURKB 122/4885GSK3B 200/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKA 161/4885AURKB 122/4885GSK3B 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.