SCHEMBL3301913

SCHEMBL3301913

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N4CCCC(O)(CN5Cc6ccccc6C5)C4)cc3)n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.40
JAK3 P52333 4/20 0.40
CDK2 P24941 2/20 0.39
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
IKBKB O14920 5/20 0.39
CHUK O15111 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK8 P45983 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 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
SCHEMBL3300385 0.96 KMT2A (0.41) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3299578 0.92 MAPT (0.42) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3306623 0.89 JAK2 (0.42) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3298357 0.89 JAK2 (0.39) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3300227 0.88 CDK4 (0.41) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3299288 0.88 CCNE1 (0.38) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3298059 0.86 CDK2 (0.44) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3306899 0.85 CDK2 (0.39) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3298024 0.84 IKBKB (0.44) JAK2JAK3CDK2CDK4CCNE1
SCHEMBL3295573 0.84 IKBKB (0.44) JAK2JAK3CDK2CDK4CCNE1

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 JAK2 160/4885JAK3 400/4885CDK2 8/4885

“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.