SCHEMBL5550587

SCHEMBL5550587

COc1ccc(Nc2nc(N)nc(N(C)C3CCCCC3)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
GALR2 O43603 6/20 0.46
ALDH1A1 P00352 1/20 0.45
PIK3CA P42336 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AGPAT2 O15120 1/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
BCL6 P41182 1/20 0.40
KCNH2 Q12809 1/20 0.40
INSR P06213 1/20 0.39
AXL P30530 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL6235251 0.90 GALR1 (0.43) GALR1L3MBTL1CYP2D6CYP2C19GALR2
SCHEMBL4839029 0.89 GALR1 (0.46) GALR1GALR2PIK3CAAGPAT2CDK1
SCHEMBL4836074 0.86 EHMT2 (0.49) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4838386 0.85 GALR1 (0.45) GALR1L3MBTL1CYP2D6CYP2C19GALR2
SCHEMBL4837868 0.84 GALR1 (0.44) GALR1L3MBTL1CYP2D6CYP2C19GALR2
SCHEMBL4837914 0.83 GALR1 (0.42) GALR1L3MBTL1CYP2D6CYP2C19GALR2
SCHEMBL4829451 0.83 EGFR (0.43) GALR1L3MBTL1CYP2D6CYP2C19GALR2
SCHEMBL4829742 0.83 BCL6 (0.47) GALR1CYP2D6CYP2C19GALR2ALDH1A1
SCHEMBL6013821 0.83 L3MBTL1 (0.68) L3MBTL1CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6208381 0.82 GALR1 (0.47) GALR1L3MBTL1CYP2D6CYP2C19GALR2

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-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
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 GALR1 1159/4885L3MBTL1 4589/4885CYP2D6 4690/4885

“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.