SCHEMBL3300384

SCHEMBL3300384

N[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
AURKA O14965 4/20 0.47
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
GRM5 P41594 1/20 0.45
IDH1 O75874 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPK8 P45983 1/20 0.44
PLK4 O00444 1/20 0.44
DRD3 P35462 1/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
IKBKG Q9Y6K9 2/20 0.42

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
SCHEMBL3298028 1.00 MAPT (0.50) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3298031 1.00 MAPT (0.50) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3302676 0.95 AURKA (0.49) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3295636 0.95 AURKA (0.49) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3295630 0.95 AURKA (0.49) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL13844951 0.85 AURKA (0.49) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3298030 0.83 MEN1 (0.47) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3301899 0.83 CDK2 (0.54) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL14095887 0.82 GRM5 (0.66) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL3300131 0.81 MAPT (0.50) MAPTMEN1KMT2ANPC1LMNA

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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
WO-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed
WO-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE MAPT 3372/4885MEN1 3381/4885KMT2A 2104/4885

“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.