SCHEMBL6429322

SCHEMBL6429322

COc1ccc(Nc2nc(N)nc(N(CC3CCCCC3)C3CC4CCC3CC4)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.47
GALR2 O43603 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CDK2 P24941 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CA P42336 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL6 P41182 1/20 0.36
INSR P06213 1/20 0.36
AXL P30530 1/20 0.36
KDR P35968 1/20 0.36
AGPAT2 O15120 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CCNB2 O95067 1/20 0.34

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
SCHEMBL6428131 0.88 GALR1 (0.46) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL6208381 0.82 GALR1 (0.47) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL6207526 0.80 GALR1 (0.49) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL4838923 0.78 GALR1 (0.67) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL6235647 0.77 GALR1 (0.47) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL5550587 0.77 GALR1 (0.48) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL5549889 0.75 GALR1 (0.45) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL6608904 0.74 GALR1 (0.43) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL5550316 0.74 GALR1 (0.43) GALR1GALR2L3MBTL1CDK1CCNB1
SCHEMBL5549892 0.74 GALR1 (0.44) GALR1GALR2L3MBTL1CDK1CCNB1

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 712/4885L3MBTL1 4589/4885

“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.