SCHEMBL3301846

SCHEMBL3301846

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N4CCC(NCc5nccnc5C)CC4)cc3)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.42
CDK1 P06493 7/20 0.42
IGF1R P08069 1/20 0.41
PTK2 Q05397 1/20 0.41
IKBKB O14920 5/20 0.39
CHUK O15111 5/20 0.39
IKBKG Q9Y6K9 5/20 0.39
CCNE1 P24864 3/20 0.39
AURKA O14965 3/20 0.39
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
MAPK8 P45983 1/20 0.38
GSK3B P49841 1/20 0.38
AURKB Q96GD4 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3299563 0.92 PTK2 (0.42) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3299108 0.89 PTK2 (0.42) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3302433 0.88 CDK2 (0.40) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3301338 0.88 CDK2 (0.42) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3301960 0.86 CDK1 (0.41) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3302490 0.86 CDK2 (0.53) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3301392 0.84 CDK2 (0.40) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3299998 0.84 PTK2 (0.40) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3298135 0.83 IKBKB (0.39) CDK2CDK1IGF1RPTK2IKBKB
SCHEMBL3302821 0.83 TACR1 (0.40) CDK2CDK1PTK2IKBKBCHUK

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 1 patent. 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

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.