SCHEMBL3301294

SCHEMBL3301294

Cc1cc(Nc2nc(Nc3ccc(S(=O)(=O)N4CCC(O)(CN5CC[C@H](C)C5)CC4)cc3)ncc2F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.39
CCNT1 O60563 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK9 P50750 2/20 0.39
EGFR P00533 5/20 0.39
ITK Q08881 3/20 0.39
AXL P30530 2/20 0.39
SYK P43405 5/20 0.39
JAK2 O60674 2/20 0.39
FLT3 P36888 2/20 0.39
AURKA O14965 2/20 0.39
PLK4 O00444 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
ERBB2 P04626 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 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
SCHEMBL3304759 1.00 CDK2 (0.39) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL3299156 0.90 EGFR (0.45) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL3304685 0.90 EGFR (0.43) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL3304116 0.88 IKBKB (0.41) CDK2CCNE1SYKJAK2JAK3
SCHEMBL3298531 0.87 CDK2 (0.39) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL3298527 0.87 CDK2 (0.39) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL3304661 0.87 CDK2 (0.39) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL3298122 0.83 EGFR (0.44) CDK2CCNT1CCNE1CDK9EGFR
SCHEMBL13392719 0.82 IKBKB (0.43) CDK2CCNE1JAK2JAK3SMN1; SMN2
SCHEMBL3300173 0.81 IKBKB (0.40) CDK2CCNE1JAK2AURKAMAP4K4

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 CDK2 8/4885CCNT1 307/4885CCNE1 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.