SCHEMBL3039485

SCHEMBL3039485

CCS(=O)(=O)c1cccc(-c2cc3nc(CN4CCN(C)CC4)cn3c(Nc3cc(C)[nH]n3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.39
JAK2 O60674 4/20 0.39
PTK2 Q05397 3/20 0.39
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
IGF1R P08069 1/20 0.37
AURKA O14965 9/20 0.36
AURKB Q96GD4 2/20 0.35
FLT3 P36888 3/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
NTRK1 P04629 1/20 0.33

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
SCHEMBL3041864 0.89 IGF1R (0.40) JAK3JAK2PTK2IGF1R
SCHEMBL13221375 0.89 GSK3A (0.38) IGF1RAURKAAURKBKDRGSK3A
SCHEMBL3027935 0.87 GSK3A (0.37) JAK3TYK2IGF1RAURKAAURKB
SCHEMBL3037557 0.85 GSK3A (0.39) JAK3JAK2TYK2IGF1RAURKA
SCHEMBL3045185 0.85 GCK (0.34) AURKAAURKBGSK3AGSK3B
SCHEMBL13221378 0.82 GSK3A (0.37) IGF1RAURKAAURKBKDRGSK3A
SCHEMBL3041442 0.79 MAP4K2 (0.42) JAK3JAK2TYK2AURKAAURKB
SCHEMBL13221379 0.79 MAP3K5 (0.35) AURKAAURKBFLT1KDRGSK3A
SCHEMBL3033770 0.78 JAK2 (0.42) JAK3JAK2PTK2IGF1R
SCHEMBL3031556 0.78 GSK3A (0.39) JAK3JAK2TYK2IGF1RAURKA

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 JAK3 73/4885JAK2 55/4885PTK2 157/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 JAK3 73/4885JAK2 55/4885PTK2 157/4885

“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.