SCHEMBL3040449

SCHEMBL3040449

Cc1cc(Nc2nc(-c3cccc(S(C)(=O)=O)c3)cc3nccn23)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 6/20 0.43
SYK P43405 6/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MAP4K4 O95819 2/20 0.41
PKN2 Q16513 2/20 0.41
AURKB Q96GD4 2/20 0.41
SLK Q9H2G2 2/20 0.41
JAK2 O60674 2/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
ROS1 P08922 1/20 0.41
SRC P12931 1/20 0.41
FER P16591 1/20 0.41
KDR P35968 1/20 0.41
BLK P51451 1/20 0.41
RPS6KA3 P51812 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
SCHEMBL3041442 0.92 MAP4K2 (0.42) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL3042405 0.88 CCNE2 (0.41) MAP4K2GSK3BAURKASRCCDK2
SCHEMBL13221083 0.87 GSK3B (0.53) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL13221315 0.85 GSK3A (0.41) SYKGSK3AGSK3BAURKBJAK2
SCHEMBL13221395 0.84 MAP4K2 (0.41) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL13220904 0.84 ALK (0.49) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL3045113 0.83 KARS1 (0.45) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL3028149 0.82 MAP4K2 (0.41) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL3040578 0.81 MAP4K2 (0.46) MAP4K2SYKGSK3AGSK3BMAP4K4
SCHEMBL3288291 0.81 MAP4K2 (0.41) MAP4K2SYKGSK3AGSK3BMAP4K4

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 MAP4K2 16/4885SYK 395/4885GSK3A 217/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MAP4K2 16/4885SYK 395/4885GSK3A 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.