Sugi Predict

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SCHEMBL4877632

SCHEMBL4877632

CN1CCC(N(C)S(=O)(=O)c2ccc(Nc3nccc(Nc4cc(F)c(F)c(F)c4)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.51
▸ HTR2C P28335 13/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ APOBEC3A P31941 2/20 0.46
▸ APOBEC3G Q9HC16 2/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44

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
SCHEMBL4876612 0.93 HTR2A (0.51) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL3306451 0.91 HTR2A (0.64) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4621383 0.90 HTR2A (0.49) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4624192 0.89 HTR2A (0.51) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4623988 0.88 HTR2A (0.59) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL14020277 0.87 BRD4 (0.50) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4623726 0.87 BRD4 (0.50) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4623472 0.85 HTR2A (0.55) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL14020100 0.84 CDK2 (0.44) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4875744 0.83 IKBKB (0.42) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G

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 4 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
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 HTR2A 3453/4885HTR2C 3934/4885L3MBTL1 4039/4885

“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.