SCHEMBL3301332

SCHEMBL3301332

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N4CCC(NC(C)c5ccncc5)CC4)cc3)n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.48
CDK1 P06493 12/20 0.48
IGF1R P08069 1/20 0.41
AURKA O14965 2/20 0.40
CCNE1 P24864 2/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
PTK2 Q05397 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK8 P45983 1/20 0.39
GSK3B P49841 1/20 0.39
AURKB Q96GD4 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL3301247 0.92 CDK2 (0.47) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3299100 0.92 CDK1 (0.47) CDK2CDK1IGF1RAURKAIKBKB
SCHEMBL3301841 0.89 CDK2 (0.47) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3301949 0.89 CDK2 (0.44) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3299553 0.88 CDK2 (0.45) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3301383 0.88 CDK2 (0.42) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3299991 0.88 MAPK8 (0.43) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3302490 0.88 CDK2 (0.53) CDK2CDK1IGF1RAURKACCNE1
SCHEMBL3301045 0.87 CDK2 (0.46) CDK2CDK1IGF1RCCNE1IKBKB
SCHEMBL3298130 0.86 CDK2 (0.43) CDK2CDK1AURKACCNE1IKBKB

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 claimed
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
WO-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 WO 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 8/4885CDK1 15/4885IGF1R 1189/4885

“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.