SCHEMBL4650964

SCHEMBL4650964

Cc1cc(Nc2ccnc(Nc3ccc(S(=O)(=O)N(C)C4CCN(Cc5cn[nH]c5)CC4)cc3)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
CDK2 P24941 2/20 0.39
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
ACVR1 Q04771 1/20 0.39
KDR P35968 1/20 0.38
MERTK Q12866 3/20 0.37
JAK2 O60674 5/20 0.37
AXL P30530 3/20 0.37
BRD4 O60885 2/20 0.37
JAK3 P52333 3/20 0.37
WEE1 P30291 1/20 0.37
ALK Q9UM73 1/20 0.37
CSF1R P07333 1/20 0.36
TYK2 P29597 1/20 0.36
ULK2 Q8IYT8 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ADORA2B P29275 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36

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
SCHEMBL4648890 0.89 CDK4 (0.40) CDK2CDK4CCNE1ACVR1MERTK
SCHEMBL4881935 0.88 ACVR1 (0.41) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL14020286 0.86 CDK4 (0.40) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4623346 0.85 CDK2 (0.40) CDK2CDK4CCNE1ACVR1KDR
SCHEMBL4649530 0.85 JAK2 (0.40) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4621404 0.85 SCN8A (0.43) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4880668 0.84 ACVR1 (0.40) CDK2CDK4CCNE1ACVR1KDR
SCHEMBL4623364 0.84 IGF1R (0.41) CDK2CDK4CCNE1ACVR1JAK2
SCHEMBL4621383 0.84 HTR2A (0.49) CDK2CDK4CCNE1JAK2AXL
SCHEMBL4882012 0.84 CDK4 (0.42) CDK2CDK4CCNE1ACVR1JAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE NAMPT 1936/4885CDK2 9/4885CDK4 54/4885

“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.