SCHEMBL4821115

SCHEMBL4821115

O=[N+]([O-])c1ccc(-c2c(Cl)nc3ncnn3c2NC2CC3CCC2C3)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.34
GABBR1 Q9UBS5 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CCNT1 O60563 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK7 P50613 2/20 0.31
CDK9 P50750 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CCNH P51946 1/20 0.31

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
SCHEMBL4821434 0.80 CNR1 (0.43) GABBR2GABBR1ALDH1A1CNR1CNR2
SCHEMBL4817636 0.80 GABBR2 (0.39) GABBR2GABBR1GAA
SCHEMBL6863776 0.78 GABBR2 (0.37) GABBR2GABBR1ALDH1A1CNR1CNR2
SCHEMBL7962438 0.77 GABBR2 (0.37) GABBR2GABBR1CNR1CNR2
SCHEMBL6186174 0.76 PDGFRB (0.38) GABBR2GABBR1
SCHEMBL4815288 0.74 MAPT (0.41) ALDH1A1GAALMNA
SCHEMBL6410703 0.73 PDGFRB (0.36) GABBR2GABBR1
SCHEMBL4819294 0.71 ALDH1A1 (0.43) GABBR2GABBR1ALDH1A1
SCHEMBL5593153 0.65 TSHR (0.36) ALDH1A1GAA
SCHEMBL5164156 0.65 HSD17B10 (0.40) ALDH1A1CDK1CCNB1CCNA2CDK2

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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 GABBR2 3703/4885GABBR1 3677/4885ALDH1A1 2231/4885

“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.