SCHEMBL3045113

SCHEMBL3045113

Cc1cc(Nc2nc(-c3cccc(CN)c3)cc3nccn23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.45
MAP4K2 Q12851 6/20 0.43
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
SYK P43405 6/20 0.41
AURKB Q96GD4 6/20 0.41
AURKA O14965 4/20 0.41
MAP4K4 O95819 2/20 0.41
PKN2 Q16513 2/20 0.41
SLK Q9H2G2 2/20 0.41
JAK2 O60674 2/20 0.41
LCK P06239 2/20 0.41
RET P07949 2/20 0.41
KDR P35968 2/20 0.41
BTK Q06187 2/20 0.41
INSR P06213 1/20 0.41
LYN P07948 1/20 0.41
ROS1 P08922 1/20 0.41
SRC P12931 1/20 0.41
FER P16591 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
SCHEMBL3028149 0.90 MAP4K2 (0.41) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL13221083 0.87 GSK3B (0.53) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL13221395 0.86 MAP4K2 (0.41) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3288291 0.86 MAP4K2 (0.41) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3031930 0.84 MAP4K4 (0.41) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3031928 0.84 MAP4K4 (0.38) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3040449 0.83 MAP4K2 (0.43) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3041442 0.82 MAP4K2 (0.42) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3039707 0.82 RET (0.49) MAP4K2GSK3AGSK3BSYKAURKB
SCHEMBL3038530 0.82 MAP4K2 (0.38) MAP4K2GSK3AGSK3BSYKAURKB

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 17 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
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-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 KARS1 2395/4885MAP4K2 16/4885GSK3A 217/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 KARS1 2395/4885MAP4K2 16/4885GSK3A 217/4885

“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.