SCHEMBL4623339

SCHEMBL4623339

CN(C1CCC(NCc2ccccn2)CC1)S(=O)(=O)c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 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
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA5 P22460 1/20 0.39
MAPK8 P45983 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
ACVR1 Q04771 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL4881253 0.94 MAPK8 (0.41) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4621942 0.88 MEN1 (0.40) MAPTMEN1NPC1LMNAALOX12
SCHEMBL14020258 0.87 MEN1 (0.49) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4623285 0.87 MEN1 (0.49) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4623325 0.87 MEN1 (0.49) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4623251 0.87 NAMPT (0.47) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4621360 0.87 MEN1 (0.41) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4621971 0.86 NAMPT (0.47) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4623158 0.86 MEN1 (0.41) MAPTMEN1NPC1LMNAALOX12
SCHEMBL4623874 0.86 MEN1 (0.41) MAPTMEN1NPC1LMNAALOX12

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 5 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
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

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 MAPT 3357/4885MEN1 3980/4885NPC1 3888/4885

“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.