SCHEMBL4623175

SCHEMBL4623175

CC(C)(C)OC(=O)N1CCC(N(CCN2CCCC2)S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
CDK2 P24941 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
PTK2 Q05397 3/20 0.40
ALOX15 P16050 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
MMP13 P45452 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 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
SCHEMBL3568059 0.90 GPR119 (0.42) CDK2CCNA2CDK9GPR119MAPT
SCHEMBL4623410 0.87 MAPT (0.46) EGFRCDK2JAK2JAK3HTR1A
SCHEMBL4623116 0.86 L3MBTL1 (0.46) EGFRCDK2CCNT1CCNA2CDK9
SCHEMBL4623130 0.85 MAPT (0.45) EGFRCDK2CCNA2JAK2JAK3
SCHEMBL14020246 0.85 MAPT (0.45) EGFRCDK2CCNA2JAK2JAK3
SCHEMBL4623127 0.85 MAPT (0.45) EGFRCDK2CCNA2JAK2JAK3
SCHEMBL4648085 0.83 MAPT (0.43) EGFRCDK2CCNA2HTR1ADRD2
SCHEMBL4623488 0.83 MAPT (0.43) EGFRCDK2CCNA2HTR1ADRD2
SCHEMBL14020269 0.83 MAPT (0.43) EGFRCDK2CCNA2HTR1ADRD2
SCHEMBL4622764 0.83 MAPT (0.45) EGFRCDK2CCNA2MEN1KMT2A

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-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 EGFR 2423/4885CDK2 9/4885CCNT1 542/4885

“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.