Sugi Predict

Sugi Predict / Compounds / SCHEMBL4880347

SCHEMBL4880347

SCHEMBL4880347

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.47
▸ HTR1A P08908 8/20 0.47
▸ DRD2 P14416 8/20 0.47
▸ HTR7 P34969 8/20 0.47
▸ HTR2C P28335 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL4876790 0.95 HTR2A (0.48) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4881291 0.92 IKBKB (0.41) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4883696 0.90 HTR2A (0.47) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4884847 0.87 HTR2A (0.49) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4875744 0.87 IKBKB (0.42) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4623891 0.87 HTR2A (0.50) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL3306451 0.86 HTR2A (0.64) HTR2AHTR2CL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL4886241 0.86 HTR2A (0.47) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4885573 0.85 L3MBTL1 (0.48) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL4623840 0.85 HTR2A (0.46) HTR2AHTR1ADRD2HTR7HTR2C

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 HTR2A 3453/4885HTR1A 3698/4885DRD2 2869/4885

“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.