SCHEMBL4623987

SCHEMBL4623987

CCN1CC(N(CCN2CCCC2)S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)c(C)c4)n3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.41
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
SRC P12931 9/20 0.40
ABL1 P00519 5/20 0.39
WEE1 P30291 1/20 0.38
ALK Q9UM73 1/20 0.38
IGF1R P08069 2/20 0.37
EGFR P00533 1/20 0.37
INSR P06213 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
PDGFRB P09619 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL4622912 0.91 JAK2 (0.45) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4622914 0.90 CDK2 (0.42) CDK2CDK4CCNE1JAK2JAK3
Hydrochloric Acid SCHEMBL4883789 0.90 CDK2 (0.41) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4623357 0.82 JAK2 (0.48) CDK2CDK4CCNE1JAK2JAK3
Hydrochloric Acid SCHEMBL4881375 0.82 JAK2 (0.47) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4623410 0.81 MAPT (0.46) CDK2CDK4CCNE1JAK2JAK3
SCHEMBL4876805 0.80 IGF1R (0.44) CDK2CDK4CCNE1ALKIGF1R
SCHEMBL14020282 0.80 IGF1R (0.43) CDK2CDK4CCNE1SRCIGF1R
SCHEMBL4623421 0.80 MAPT (0.46) CDK2CDK4CCNE1SRCIGF1R
SCHEMBL4648085 0.79 MAPT (0.43) CDK2CDK4CCNE1SRCIGF1R

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
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

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 CDK2 9/4885CDK4 54/4885CCNE1 271/4885

“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.