SCHEMBL6307905

SCHEMBL6307905

CSc1nc(N)nc(CN2CCN(c3ccc(C)c(C)c3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 5/20 0.58
NOX4 Q9NPH5 5/20 0.58
NOX1 Q9Y5S8 3/20 0.58
NOX3 Q9HBY0 2/20 0.58
NOX5 Q96PH1 1/20 0.58
HTT P42858 1/20 0.51
MAPT P10636 7/20 0.48
USP2 O75604 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
XBP1 P17861 1/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
DRD4 P21917 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL6308323 0.76 ALDH1A1 (0.45) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL6307171 0.76 GAA (0.50) HTTALDH1A1GAAMAPK1HTR1A
SCHEMBL6307060 0.74 ALDH1A1 (0.64) HTTMAPTUSP2MEN1KMT2A
SCHEMBL18029452 0.74 CYBB (0.67) CYBBNOX4NOX1NOX3NOX5
SCHEMBL17999762 0.73 CYBB (1.00) CYBBNOX4NOX1NOX3NOX5
SCHEMBL30100838 0.73 CYBB (1.00) CYBBNOX4NOX1NOX3NOX5
SCHEMBL17999785 0.72 CYBB (1.00) CYBBNOX4NOX1NOX3NOX5
SCHEMBL17999847 0.71 CYBB (1.00) CYBBNOX4NOX1NOX3NOX5
SCHEMBL6314302 0.71 HSP90AA1 (0.41) MAPTUSP2MEN1KMT2AALDH1A1
SCHEMBL15662479 0.69 CYBB (1.00) CYBBNOX4NOX1NOX3NOX5

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-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 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-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 CYBB 2190/4885NOX4 2557/4885NOX1 1576/4885

“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.