SCHEMBL5229604

SCHEMBL5229604

Cc1nccc(-c2cc(C(=O)NC3CCc4ccccc43)c(=O)[nH]n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.47
PDE2A O00408 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
TAS1R2 Q8TE23 5/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
MAPK1 P28482 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HPGDS O60760 1/20 0.42
CHRM4 P08173 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL4856142 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1HSD17B10CHRM4
SCHEMBL4854586 0.82 ROCK2 (0.52) SPRPDE2ANPC1RAB9AALDH1A1
SCHEMBL14009837 0.77 PDE4A (0.52) PDE2AALDH1A1TAS1R3TAS1R1ROCK2
SCHEMBL5231389 0.73 SORT1 (0.40) HSD17B10MAPK1
SCHEMBL4856700 0.69 GSK3B (0.43) NPC1RAB9AALDH1A1TAS1R3TAS1R1
SCHEMBL5969897 0.69 TAS1R3 (0.64) PDE2AALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL2077671 0.69 TAS1R3 (0.55) SPRPDE2AALDH1A1HSD17B10TAS1R3
SCHEMBL4854304 0.68 GSK3B (0.58) ALDH1A1
SCHEMBL14348317 0.67 GSK3B (0.45) NPC1RAB9AALDH1A1ROCK2ROCK1
SCHEMBL6449906 0.67 KDM4E (0.58) RAB9AALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A SPR 4692/4885PDE2A 509/4885NPC1 1062/4885

“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.