SCHEMBL4874586

SCHEMBL4874586

CN(C1CCN(Cc2cnc3ccccc3c2)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
IGF1R P08069 9/20 0.45
EGFR P00533 1/20 0.45
INSR P06213 1/20 0.45
MET P08581 1/20 0.45
CDK2 P24941 1/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
HTR2A P28223 4/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR7 P34969 3/20 0.42
ACVR1 Q04771 1/20 0.41
HTR2C P28335 1/20 0.40

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
SCHEMBL4623338 0.89 ACHE (0.49) HTR2AHTR1ADRD2HTR7ACVR1
SCHEMBL4886241 0.88 HTR2A (0.47) KDRHTR2AHTR1ADRD2HTR7
SCHEMBL4877846 0.87 SCN1A (0.45) HTR2AHTR1ADRD2HTR7ACVR1
SCHEMBL4623862 0.85 ACHE (0.46) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4622285 0.85 HTR2A (0.46) HTR2AHTR1ADRD2HTR7ACVR1
SCHEMBL4622682 0.85 HTR2A (0.46) CDK2HTR2AHTR1ADRD2HTR7
SCHEMBL4924528 0.84 HTR2A (0.43) HTR2AHTR1ADRD2HTR7ACVR1
SCHEMBL4621092 0.84 AXL (0.46) CDK2HTR2AHTR1ADRD2HTR7
SCHEMBL4884847 0.83 HTR2A (0.49) EGFRCDK2HTR2AHTR1ADRD2
SCHEMBL4623447 0.83 HTR2A (0.43) CDK2HTR2AHTR1ADRD2HTR7

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
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
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 FAAH 3533/4885IGF1R 1514/4885EGFR 2423/4885

“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.