SCHEMBL5360812

SCHEMBL5360812

CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2-c2ccccc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
TGFBR1 P36897 1/20 0.43
EGFR P00533 1/20 0.42
AAK1 Q2M2I8 5/20 0.41
PIK3C3 Q8NEB9 2/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
WNT3A P56704 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
CGAS Q8N884 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL5353074 0.90 RIPK3 (0.45) MAPK14
SCHEMBL5355784 0.90 IRAK4 (0.42) IRAK4TGFBR1EGFRAAK1PIK3C3
SCHEMBL5349670 0.90 CDK9 (0.42) IRAK4TGFBR1AAK1PIK3C3MAPK14
SCHEMBL5349844 0.89 TGFBR1 (0.40) IRAK4TGFBR1AAK1PIK3C3
SCHEMBL5354912 0.88 MAPK14 (0.47) IRAK4TGFBR1PIK3C3MAPK14MAPK10
SCHEMBL5352411 0.86 GSK3B (0.45) IRAK4TGFBR1AAK1PIK3C3MAPK14
SCHEMBL5251219 0.84 EGFR (0.57) IRAK4TGFBR1EGFRAAK1PIK3C3
SCHEMBL28757702 0.82 IRAK4 (0.40) IRAK4TGFBR1AAK1PIK3C3
SCHEMBL13826405 0.78 MAPK14 (0.51) IRAK4TGFBR1AAK1MAPK14WNT3A
SCHEMBL6501406 0.78 PIP5K1C (0.54) EGFRMAPK14CNR1MAPK8MAPK10

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 106/4885TGFBR1 1215/4885EGFR 1319/4885

“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.