SCHEMBL5355784

SCHEMBL5355784

CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2-c2ccc(Cl)cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
CNR1 P21554 1/20 0.42
CCR2 P41597 2/20 0.40
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
ATR Q13535 1/20 0.39
TGFBR1 P36897 1/20 0.39
P2RX3 P56373 1/20 0.39
AAK1 Q2M2I8 4/20 0.39
CYP3A4 P08684 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MAPK1 P28482 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL5360812 0.90 IRAK4 (0.44) IRAK4CNR1MAPK14TGFBR1AAK1
SCHEMBL5353074 0.90 RIPK3 (0.45) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5352411 0.88 GSK3B (0.45) IRAK4MAPK14TGFBR1AAK1CYP3A4
SCHEMBL5349844 0.84 TGFBR1 (0.40) IRAK4TGFBR1AAK1GSK3BPIK3C3
SCHEMBL27515609 0.84 MAPK14 (0.48) CNR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5349670 0.83 CDK9 (0.42) IRAK4MAPK14TGFBR1AAK1GSK3B
SCHEMBL5354912 0.81 MAPK14 (0.47) IRAK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL28757702 0.80 IRAK4 (0.40) IRAK4TGFBR1AAK1CYP3A4GSK3B
SCHEMBL17971420 0.78 PIK3C3 (0.48) IRAK4CCR2ATRTGFBR1AAK1
SCHEMBL5354828 0.77 IRAK4 (0.43) IRAK4CNR1CCR2MAPK14MAPK13

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP 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 (1 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-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 IRAK4 106/4885CNR1 558/4885CCR2 140/4885

“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.