SCHEMBL5280849

SCHEMBL5280849

NC(=O)c1ccc(-n2ccnc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.60
CYP1A2 P05177 5/20 0.60
CYP2D6 P10635 5/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 2/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 1/20 0.54
BAZ2B Q9UIF8 1/20 0.46
NNMT P40261 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TBXAS1 P24557 1/20 0.45
DYRK1A Q13627 1/20 0.44
ADH5 P11766 2/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MAPK1 P28482 2/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL600477 0.86 CYP3A4 (0.61) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL30317655 0.84 CYP3A4 (0.62) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL1976009 0.84 CYP3A4 (0.62) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL8297460 0.81 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL17352303 0.81 HTT (0.65) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL4723615 0.80 NNMT (0.52) KMT2ANNMTSMN1; SMN2F7F3
SCHEMBL29475058 0.80 NNMT (0.52) KMT2ANNMTSMN1; SMN2F7F3
SCHEMBL5306190 0.80 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10757760 0.80 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10469495 0.79 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO 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 (4 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 CYP3A4 292/4885CYP1A2 285/4885CYP2D6 86/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP3A4 341/4885CYP1A2 375/4885CYP2D6 365/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP3A4 341/4885CYP1A2 375/4885CYP2D6 365/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP3A4 500/4885CYP1A2 362/4885CYP2D6 317/4885

“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.