SCHEMBL6429951

SCHEMBL6429951

COc1ccc(Nc2nc(N)nc(N(CC3CCCCC3)CC3CCCN3Cc3ccccc3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.42
GALR2 O43603 5/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
USP2 O75604 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
INSR P06213 1/20 0.36
AXL P30530 1/20 0.36
KDR P35968 1/20 0.36
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35

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 0.89 GALR1 (0.45) GALR1GALR2MAPTALDH1A1L3MBTL1
SCHEMBL6229931 0.86 GALR1 (0.42) GALR1GALR2MAPTALDH1A1L3MBTL1
SCHEMBL5553491 0.85 GALR1 (0.46) GALR1GALR2INSRAXLKDR
SCHEMBL6233417 0.83 GALR1 (0.38) GALR1GALR2MAPTALDH1A1L3MBTL1
SCHEMBL6233437 0.82 GALR1 (0.46) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL6229485 0.82 GALR1 (0.41) GALR1GALR2INSRAXLKDR
SCHEMBL6429807 0.80 HTT (0.39) GALR1MAPTALDH1A1L3MBTL1USP2
SCHEMBL4829541 0.80 GALR1 (0.55) GALR1GALR2
SCHEMBL6207526 0.80 GALR1 (0.49) GALR1GALR2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6273065 0.79 GALR1 (0.41) GALR1GALR2MAPTL3MBTL1CYP2D6

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 claimed

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 GALR1 1159/4885GALR2 712/4885MAPT 3475/4885

“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.