SCHEMBL3306739

SCHEMBL3306739

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N4CCC(O)(CN5CCC(F)(F)CC5)CC4)cc3)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.43
CHUK O15111 8/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CDK4 P11802 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
NAMPT P43490 1/20 0.39
SYK P43405 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3301214 0.95 IKBKB (0.42) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3295573 0.94 IKBKB (0.44) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3298024 0.94 IKBKB (0.44) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3299415 0.93 MAPT (0.45) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3306581 0.92 CDK2 (0.45) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3301539 0.92 IKBKB (0.44) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3299865 0.89 CDK4 (0.48) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3302590 0.89 IKBKB (0.42) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL13392719 0.89 IKBKB (0.43) IKBKBCHUKCCNE1CDK2CDK4
SCHEMBL3304116 0.88 IKBKB (0.41) IKBKBCHUKCCNE1CDK2CDK4

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 1/4885CCNE1 180/4885

“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.