SCHEMBL4654385

SCHEMBL4654385

CC(NC1CCN(C)CC1)c1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
TAF1 P21675 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL2977829 0.87 GAA (0.44) GAAL3MBTL1
SCHEMBL4214716 0.74 GAA (0.69) GAAL3MBTL1POLBKDM1AMEN1
SCHEMBL2979760 0.72 MC4R (0.53) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2720181 0.71 LOXL2 (0.36) GAAL3MBTL1POLBKMT2AKCNH2
SCHEMBL5987343 0.68 GAA (0.46) GAAL3MBTL1POLBMEN1MITF
SCHEMBL4220278 0.68 GAA (0.46) GAAL3MBTL1KMT2ASLC6A2OPRM1
SCHEMBL378217 0.66 POLB (0.38) GAAL3MBTL1POLBKDM1AMEN1
SCHEMBL1198192 0.66 ALDH1A1 (0.45) POLBMEN1MITFKMT2A
SCHEMBL1197654 0.66 CASR (0.36) GAAL3MBTL1POLBMEN1KMT2A
SCHEMBL18435342 0.65 DRD4 (0.44) CYP2D6

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
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

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 GAA 2886/4885L3MBTL1 4039/4885POLB 1165/4885

“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.