SCHEMBL3044547

SCHEMBL3044547

Clc1cc2nccn2c(Nc2cc[nH]n2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.33
MAP4K2 Q12851 5/20 0.32
MAP4K4 O95819 2/20 0.32
PKN2 Q16513 2/20 0.32
AURKB Q96GD4 2/20 0.32
SLK Q9H2G2 2/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
SRC P12931 1/20 0.32
FER P16591 1/20 0.32
KDR P35968 1/20 0.32
BLK P51451 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PRKCD Q05655 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL26007684 0.81 PDE2A (0.33) SYKMAP4K2MAP4K4PKN2AURKB
SCHEMBL26035235 0.81 SYK (0.32) SYKMAP4K2MAP4K4PKN2AURKB
SCHEMBL26005518 0.79 SYK (0.41) SYKMAP4K2MAP4K4PKN2AURKB
SCHEMBL26007557 0.78 SYK (0.40) SYKMAP4K2MAP4K4PKN2AURKB
SCHEMBL26029263 0.78 SYK (0.42) SYKMAP4K2MAP4K4PKN2AURKB
SCHEMBL3037801 0.78 MEN1 (0.45) SYKAURKBSLKAURKAJAK2
SCHEMBL26009583 0.77 AURKA (0.35) AURKBAURKA
SCHEMBL26009808 0.77 ATR (0.40) SYKJAK2FLT3
SCHEMBL26011193 0.75 SYK (0.42) SYKMAP4K2MAP4K4PKN2AURKB
SCHEMBL3042402 0.74 PAK1 (0.46)

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 4 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 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-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 SYK 395/4885MAP4K2 16/4885MAP4K4 25/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 SYK 395/4885MAP4K2 16/4885MAP4K4 25/4885

“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.