SCHEMBL5359923

SCHEMBL5359923

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK2 P24941 5/20 0.35
CCNE2 O96020 4/20 0.35
CCNE1 P24864 4/20 0.35
ROCK2 O75116 1/20 0.34
CASP3 P42574 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
GDA Q9Y2T3 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL5352637 0.83 HPGD (0.39) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL5352783 0.77
SCHEMBL7159418 0.76
SCHEMBL5360047 0.73 KAT2B (0.33) ALDH1A1KDM4E
SCHEMBL13375033 0.69 NPC1 (0.41) ALDH1A1HPGDPOLBKDM4EGAA
SCHEMBL34463731 0.69 CDK2 (0.40) ALDH1A1HPGDPOLBKDM4EGAA
SCHEMBL5360360 0.69 PSIP1 (0.38) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL5353851 0.67 BRPF1 (0.37) ALDH1A1HPGDPOLBKDM4EGAA
SCHEMBL6180608 0.65
SCHEMBL1415220 0.62 ATM (0.43) ALDH1A1KDM4ECDK2CCNE1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US claimed
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 claimed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP claimed
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 ALDH1A1 2425/4885HPGD 1997/4885POLB 3270/4885

“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.