SCHEMBL5553546

SCHEMBL5553546

COc1ccc(Nc2nc(N)nc(NCCCn3ccnc3)n2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
QPCT Q16769 13/20 0.51
QPCTL Q9NXS2 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4837784 0.85 CYP19A1 (0.49) CYP19A1QPCTQPCTLTLR9TLR7
SCHEMBL4839305 0.81 CYP19A1 (0.45) CYP19A1QPCTQPCTLTLR9TLR7
SCHEMBL5029097 0.77 AGPAT2 (0.53) GAA
SCHEMBL5033308 0.77 SOD1 (0.52) QPCTALDH1A1SMN1; SMN2
SCHEMBL4836482 0.74 GALR2 (0.53) GAA
SCHEMBL6863418 0.73 CYP19A1 (0.41) CYP19A1QPCTQPCTLTLR9TLR7
SCHEMBL4837017 0.73 GALR1 (0.59) CYP19A1
SCHEMBL6234629 0.72 GALR1 (0.48) ALDH1A1SMN1; SMN2POLB
SCHEMBL4838923 0.71 GALR1 (0.67) SMN1; SMN2
SCHEMBL1473522 0.70 IMPDH2 (0.73)

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-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 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-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CYP19A1 4658/4885QPCT 2110/4885QPCTL 2284/4885

“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.