SCHEMBL3044980

SCHEMBL3044980

Cc1cc(Nc2nc(-c3cccc(C(=O)NCC4CCNC4)c3)cc3nccn23)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.42
MAP4K2 Q12851 4/20 0.39
SMYD3 Q9H7B4 2/20 0.38
ACSS2 Q9NR19 1/20 0.37
MET P08581 2/20 0.37
PIM1 P11309 1/20 0.37
IKBKB O14920 1/20 0.37
CHEK2 O96017 1/20 0.37
NAMPT P43490 3/20 0.37
FLT3 P36888 3/20 0.37
MAP4K4 O95819 3/20 0.36
SYK P43405 2/20 0.36
PKN2 Q16513 2/20 0.36
AURKB Q96GD4 2/20 0.36
SLK Q9H2G2 2/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36

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
SCHEMBL3042101 0.87 ROCK2 (0.41) MAP4K2METIKBKBCHEK2ROCK2
SCHEMBL13221142 0.86 ROCK2 (0.46) TYRO3MAP4K2ACSS2METPIM1
SCHEMBL13221136 0.84 MAP4K2 (0.44) MAP4K2METFLT3MAP4K4SYK
SCHEMBL3042488 0.84 MAP4K2 (0.43) MAP4K2METFLT3MAP4K4SYK
SCHEMBL3046941 0.83 GAA (0.43) MAP4K2METFLT3MAP4K4SYK
SCHEMBL3047500 0.82 RET (0.49) MAP4K2CHEK2FLT3MAP4K4SYK
SCHEMBL3040578 0.80 MAP4K2 (0.46) MAP4K2METFLT3MAP4K4SYK
SCHEMBL3041819 0.80 CDK2 (0.46) MAP4K2METFLT3MAP4K4SYK
SCHEMBL3037534 0.79 PAK4 (0.45) MAP4K2METFLT3MAP4K4SYK
SCHEMBL3046795 0.79 RET (0.45) MAP4K2METFLT3MAP4K4SYK

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 12 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
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 TYRO3 554/4885MAP4K2 16/4885SMYD3 2524/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 TYRO3 554/4885MAP4K2 16/4885SMYD3 2524/4885

“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.