SCHEMBL4492502

SCHEMBL4492502

CCNC(=O)c1nc(CN)no1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.39
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMPD1 P17405 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6119983 0.79 GAA (0.39) CYP2C19HDAC4HDAC6GAAKDM4E
SCHEMBL12501217 0.75 GAA (0.47) KLKB1CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL17664609 0.75 GAA (0.40) CYP2C19HDAC4HDAC6GAAKDM4E
SCHEMBL24658822 0.74 CYP2D6 (0.34) CYP2C19CYP3A4CYP2D6CYP2C9SMPD1
SCHEMBL3559987 0.72 HTT (0.49) CYP3A4GAAKDM4EHPGDMAPT
SCHEMBL14261126 0.72 PLK1 (0.39) KLKB1GAAKDM4ESMPD1HPGD
SCHEMBL12500182 0.71 SMPD1 (0.49) KLKB1CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL15161301 0.71 LOX (0.33) HDAC4RAB9ASMN1; SMN2
SCHEMBL12500185 0.71 SMPD1 (0.37) KLKB1CYP2C19CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4493041 0.71 HTT (0.48) CYP3A4GAAKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 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-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 KLKB1 2754/4885CYP2C19 3070/4885CYP3A4 2411/4885

“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.