SCHEMBL4928536

SCHEMBL4928536

Cc1nc(Sc2nc3ccccc3o2)c2nnn(Cc3ccccc3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.73
NOX5 Q96PH1 1/20 0.73
NOX4 Q9NPH5 1/20 0.73
DUOX2 Q9NRD8 1/20 0.73
DUOX1 Q9NRD9 1/20 0.73
NOX1 Q9Y5S8 1/20 0.73
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 5/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
KDM1A O60341 2/20 0.44
TP53 P04637 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
SCHEMBL4920666 0.87 CYBB (0.71) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL29368383 0.84 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL2027831 0.84 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4923550 0.77 CYBB (0.80) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4918962 0.73 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2ALMNA
SCHEMBL4920436 0.73 CYBB (0.78) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4931759 0.71 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EKMT2ALMNA
SCHEMBL4928611 0.69 CYBB (0.68) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4920220 0.68 CYBB (0.69) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL17210872 0.65 CYBB (0.67) CYBBNOX5NOX4DUOX2DUOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 EP 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-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK CYBB 2/4885NOX5 4/4885NOX4 5/4885

“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.