SCHEMBL4621987

SCHEMBL4621987

C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 4/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL4883738 0.89 MEN1 (0.50) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4876820 0.88 MEN1 (0.48) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4621951 0.87 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4622287 0.87 HTR2A (0.47) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4622666 0.87 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL4886318 0.86 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4622402 0.86 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4623319 0.86 MEN1 (0.47) MEN1NPC1LMNAMAPTALOX12
SCHEMBL3306451 0.86 HTR2A (0.64) MEN1NPC1LMNAMAPTALOX12
SCHEMBL4623498 0.86 MEN1 (0.52) MEN1NPC1LMNAMAPTALOX12

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 10 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-1270043-B1 Method and device for transcranial magnetic stimulation and cortical cartography BRAINLAB AG (DE) 2008-04-02 EP 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
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
EP-1269913-B1 Device for transcranial magnetic stimulation and cortical cartography BRAINLAB AG (DE) 2004-08-04 EP disclosed
EP-1269913-A1 Method and device for transcranial magnetic stimulation and cortical cartography BrainLAB AG (DE) 2003-01-02 EP disclosed
EP-1270043-A1 Method and device for transcranial magnetic stimulation and cortical cartography BrainLAB AG (DE) 2003-01-02 EP 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 MEN1 3980/4885NPC1 3888/4885LMNA 3139/4885

“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.