SCHEMBL4049062

SCHEMBL4049062

CC(=O)c1cn[nH]c(=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDPK1 O15530 1/20 0.37
SLC2A1 P11166 1/20 0.34
CDK2 P24941 2/20 0.34
CDK5 Q00535 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CDK8 P49336 1/20 0.33
HSD17B10 Q99714 2/20 0.32
PARP1 P09874 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4B Q07343 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
AHR P35869 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL4050869 0.82 TSHR (0.42) TSHRALDH1A1KMT2AMEN1PDPK1
SCHEMBL25341767 0.78 ALDH1A1 (0.39) TSHRALDH1A1KMT2AMEN1SLC2A1
SCHEMBL15760567 0.78
SCHEMBL13906355 0.71
SCHEMBL6155580 0.71
SCHEMBL5140170 0.70
SCHEMBL6209776 0.69
SCHEMBL24578001 0.69
SCHEMBL4170240 0.67
SCHEMBL24690839 0.67 KMT2A (0.39) TSHRALDH1A1KMT2AMEN1PDPK1

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-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 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-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A TSHR 3288/4885ALDH1A1 193/4885KMT2A 1928/4885

“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.