SCHEMBL3306795

SCHEMBL3306795

COc1ccc(OC)c(C(O)C2CCN(S(=O)(=O)c3ccc(Nc4nccc(Nc5ccc(F)c(F)c5)n4)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
CHUK O15111 3/20 0.46
FAM20C Q8IXL6 1/20 0.45
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GALR1 P47211 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GALR2 O43603 3/20 0.40
TP53 P04637 1/20 0.40
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 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
SCHEMBL3306513 0.83 IKBKB (0.51) IKBKBCHUKMAPTNPC1MAPK1
SCHEMBL13392300 0.81 IKBKB (0.49) IKBKBCHUKCYP11B2MAPTRAB9A
SCHEMBL3306811 0.81 IKBKB (0.49) IKBKBCHUKCYP11B2MAPTRAB9A
SCHEMBL3298041 0.79 IKBKB (0.43) IKBKBCHUKCYP11B2MAPTTP53
SCHEMBL13392089 0.79 IKBKB (0.43) IKBKBCHUKCYP11B2MAPTTP53
SCHEMBL3303279 0.78 IKBKB (0.51) IKBKBCHUKALDH1A1MAPTNPC1
SCHEMBL13392092 0.78 IKBKB (0.44) IKBKBCHUKCYP11B2MAPTKMT2A
SCHEMBL3295362 0.78 IKBKB (0.44) IKBKBCHUKCYP11B2MAPTKMT2A
SCHEMBL3299203 0.77 IKBKB (0.51) IKBKBCHUKALDH1A1MAPTHCRTR1
SCHEMBL3300456 0.77 CYP11B2 (0.49) IKBKBCHUKCYP11B2MAPTMEN1

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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE IKBKB 2/4885CHUK 1/4885FAM20C 384/4885

“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.