SCHEMBL5360360

SCHEMBL5360360

CCS(=O)(=O)Nc1c[c]n[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.38
HPGD P15428 5/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
JAK2 O60674 5/20 0.34
JAK1 P23458 5/20 0.34
TYK2 P29597 5/20 0.34
JAK3 P52333 5/20 0.34
BRD4 O60885 1/20 0.33
PARP1 P09874 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ADRA1A P35348 1/20 0.32
PARP14 Q460N5 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL5360043 0.83 JAK2 (0.37) HPGDHSD17B10JAK2JAK1TYK2
SCHEMBL5349580 0.77 AR (0.36)
SCHEMBL5360047 0.70 KAT2B (0.33) KDM4EALDH1A1
SCHEMBL5359923 0.69 ALDH1A1 (0.35) HPGDHSD17B10KDM4EALDH1A1MAPT
SCHEMBL5353125 0.69
SCHEMBL5361762 0.63 AR (0.36) ALDH1A1
SCHEMBL5353490 0.62 PSIP1 (0.36) PSIP1HPGDLMNAHSD17B10BRD4
SCHEMBL12768022 0.61 PSIP1 (0.73) PSIP1HPGDLMNAHSD17B10HTT
SCHEMBL5358925 0.60
SCHEMBL5354802 0.60 PDPK1 (0.32)

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
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP 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
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 PSIP1 3409/4885HPGD 1997/4885LMNA 3917/4885

“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.