SCHEMBL4083571

SCHEMBL4083571

Cc1cc(N)c2cc(N(c3ccc4nc(C)cc(N)c4c3)c3ncnc(OCCCN(C)C)n3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAC1 P63000 1/20 0.40
DOT1L Q8TEK3 3/20 0.40
OPRL1 P41146 1/20 0.38
NCF1 P14598 1/20 0.35
TERT O14746 7/20 0.35
MEN1 O00255 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
GNG2 P59768 1/20 0.34
GNB1 P62873 1/20 0.34
KMT2A Q03164 1/20 0.34
TOP2A P11388 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL4076953 0.82 ALDH1A1 (0.44) ALDH1A1CASP1CASP7HSD17B10DOT1L
SCHEMBL4077118 0.80 ALDH1A1 (0.45) ALDH1A1CASP1CASP7HSD17B10DOT1L
SCHEMBL4079070 0.78 ALDH1A1 (0.44) ALDH1A1CASP1CASP7HSD17B10DOT1L
SCHEMBL6338669 0.78 OPRL1 (0.48) ALDH1A1CASP1CASP7HSD17B10DOT1L
SCHEMBL4083568 0.73 TERT (0.62) ALDH1A1CASP1CASP7HSD17B10RAC1
SCHEMBL6595121 0.73 RAC1 (0.40) ALDH1A1CASP1CASP7HSD17B10RAC1
SCHEMBL6594072 0.71 RAC1 (0.40) ALDH1A1CASP1CASP7HSD17B10RAC1
SCHEMBL6346659 0.70 OPRL1 (0.42) ALDH1A1CASP1CASP7HSD17B10DOT1L
SCHEMBL4076910 0.70 BRD4 (0.35) TERT
SCHEMBL4076941 0.69 NCF1 (0.41) ALDH1A1CASP1CASP7HSD17B10DOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US claimed
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent AVENTIS PHARMA S.A. (FR) 2003-05-08 US claimed
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US disclosed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 US disclosed
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US disclosed
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-03-31 US disclosed
US-20030087931-A1 Chemical derivatives and their application as antitelomerease agent AVENTIS PHARMA S.A. (FR) 2003-05-08 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 (3 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-20030087931-A1 Chemical derivatives and their application as antitelomerease agent DNASE1L3, SERPINB1, BRDT ALDH1A1 1464/4885CASP1 2947/4885CASP7 1494/4885
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 ALDH1A1 567/4885CASP1 3738/4885CASP7 2750/4885
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents DPYD, NTPCR, NME1 ALDH1A1 567/4885CASP1 3738/4885CASP7 2750/4885

“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.