SCHEMBL3042771

SCHEMBL3042771

CCn1nc(-c2cccnc2)c(C(C)=O)c(Nc2ccc(C(=O)O)cc2C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.61
TBXAS1 P24557 1/20 0.45
KMO O15229 1/20 0.37
NPC1 O15118 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
THRB P10828 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
BRCA1 P38398 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL4707707 0.91 PDE4B (0.73) PDE4BTHRB
SCHEMBL1652392 0.86 PDE4B (0.81) PDE4BTBXAS1NPC1MKNK1MKNK2
SCHEMBL1653491 0.85 PDE4B (0.54) PDE4BTBXAS1NPC1ALDH1A1L3MBTL1
SCHEMBL4673692 0.84 PDE4B (0.64) PDE4BTBXAS1NPC1MKNK1MKNK2
SCHEMBL3033339 0.82 PDE4B (0.66) PDE4BTBXAS1KMOALDH1A1L3MBTL1
SCHEMBL3032862 0.82 PDE4B (0.65) PDE4BTBXAS1
SCHEMBL4707900 0.82 PDE4B (0.73) PDE4BADORA1
SCHEMBL1652085 0.81 PDE4B (0.63) PDE4BTBXAS1ALDH1A1L3MBTL1MAPT
SCHEMBL3032684 0.81 PDE4B (0.56) PDE4BTBXAS1NPC1ALDH1A1MEN1
SCHEMBL4894028 0.81 PDE4B (0.72) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 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 (2 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885TBXAS1 454/4885KMO 1705/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885TBXAS1 454/4885KMO 1705/4885

“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.