SCHEMBL5033308

SCHEMBL5033308

Nc1nc(N)nc(NCCCn2ccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.52
QPCT Q16769 6/20 0.49
ALOX15 P16050 1/20 0.49
TBXAS1 P24557 1/20 0.49
PIM1 P11309 1/20 0.48
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4288284 0.82 SOD1 (0.52) SOD1QPCTALOX15TBXAS1PIM1
SCHEMBL27628795 0.81 TSHR (0.43) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL14504174 0.78 ALOX15 (0.52) SOD1QPCTALOX15PIM1CYP1A2
SCHEMBL5383219 0.77 ALOX15 (0.43) SOD1QPCTALOX15TBXAS1PIM1
SCHEMBL2539814 0.77 SOD1 (0.57) SOD1QPCTALOX15TBXAS1NPC1
Hydrochloric Acid SCHEMBL5191266 0.76 SOD1 (0.56) SOD1QPCTALOX15TBXAS1ALDH1A1
SCHEMBL7970502 0.75 QPCT (0.63) SOD1QPCTALDH1A1GSK3AGSK3B
SCHEMBL6092843 0.74 SOD1 (0.54) SOD1QPCTALOX15HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3872082 0.74 QPCT (0.62) SOD1QPCTALDH1A1GSK3AGSK3B
SCHEMBL14464744 0.73 TBXAS1 (0.63) SOD1QPCTALOX15TBXAS1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SOD1 2020/4885QPCT 2110/4885ALOX15 676/4885

“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.