SCHEMBL5353490

SCHEMBL5353490

CCS(=O)(=O)Nc1c[c]nn2cnnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.36
ADRA2A P08913 2/20 0.32
TP53 P04637 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
NR3C1 P04150 1/20 0.32
ADRA1A P35348 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CREBBP Q92793 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNA5 P22460 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL5358167 0.77 TOP2A (0.36) HPGDHSD17B10
SCHEMBL5352966 0.74 TP53 (0.39) TP53LMNAHPGDHSD17B10
SCHEMBL5358178 0.73 TP53 (0.36) TP53ALOX15TSHRCREBBPLMNA
SCHEMBL5359749 0.71 HPGD (0.34) TP53ALOX15HPGD
SCHEMBL5367573 0.64 KDM4E (0.32) LMNAHPGDHSD17B10
SCHEMBL5360360 0.62 PSIP1 (0.38) PSIP1ADRA2APTGS1PTGS2ADRA1A
SCHEMBL4785684 0.61 ALDH1A1 (0.35)
SCHEMBL12768022 0.60 PSIP1 (0.73) PSIP1PTGS1PTGS2NR3C1LMNA
SCHEMBL12962542 0.55 PSIP1 (0.63) PSIP1PTGS1PTGS2NR3C1ALOX15
SCHEMBL5143535 0.55 PSIP1 (0.63) PSIP1PTGS1PTGS2NR3C1LMNA

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 3409/4885ADRA2A 1382/4885TP53 1853/4885

“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.