SCHEMBL6429807

SCHEMBL6429807

CCN1CCCC1CN(CC1CCCCC1)c1nc(N)nc(Nc2ccc(C)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CYBB P04839 3/20 0.34
NOX4 Q9NPH5 3/20 0.34
NOX5 Q96PH1 2/20 0.34
NOX3 Q9HBY0 2/20 0.34
NOX1 Q9Y5S8 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSP90AA1 P07900 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL5549889 0.88 GALR1 (0.45) MAPTMAPK1L3MBTL1CYP2D6CYP2C19
SCHEMBL6233417 0.87 GALR1 (0.38) MAPTL3MBTL1CYP2D6CYP2C19KDM4E
SCHEMBL6428940 0.85 PIK3CA (0.38)
SCHEMBL5553491 0.84 GALR1 (0.46) GALR1
SCHEMBL6427917 0.83 PIK3CD (0.31)
SCHEMBL6229485 0.81 GALR1 (0.41) CRHR1GALR1
SCHEMBL6233437 0.81 GALR1 (0.46) CRHR1GALR1
SCHEMBL6429951 0.80 GALR1 (0.42) MAPTMAPK1TDP1L3MBTL1CYP2D6
SCHEMBL6239105 0.80 HTT (0.44) HTTMAPTMAPK1TDP1CYBB
SCHEMBL6273065 0.78 GALR1 (0.41) MAPTL3MBTL1CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 HTT 648/4885MAPT 3475/4885MAPK1 370/4885

“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.