SCHEMBL3299529

SCHEMBL3299529

CC(NC1CCCN(C(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)C1)c1ccc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.43
CDK1 P06493 3/20 0.43
KMT2A Q03164 3/20 0.42
CCNE1 P24864 2/20 0.41
CDK12 Q9NYV4 5/20 0.41
CCNK O75909 4/20 0.41
CCNA2 P20248 2/20 0.41
CDK7 P50613 2/20 0.41
CCNH P51946 2/20 0.41
MNAT1 P51948 2/20 0.41
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MAP3K12 Q12852 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL3304694 0.85 CDK2 (0.44) CDK2CDK1KMT2ACCNE1CDK12
SCHEMBL3304457 0.84 CDK2 (0.54) CDK2CDK1KMT2ACCNE1CDK12
SCHEMBL13844895 0.80 GRM5 (0.57) CDK2KMT2ACCNE1MEN1NPC1
SCHEMBL3299532 0.79 CDK2 (0.44) CDK2CDK1KMT2ACCNE1MEN1
SCHEMBL3299819 0.78 KMT2A (0.43) CDK2CDK1KMT2ACCNE1CDK12
SCHEMBL14095887 0.76 GRM5 (0.66) CDK2KMT2ACCNE1MEN1NPC1
SCHEMBL3302903 0.75 KMT2A (0.46) CDK2CDK1KMT2ACCNE1CDK12
SCHEMBL3304704 0.75 KMT2A (0.44) CDK2CDK1KMT2ACCNE1CDK12
SCHEMBL3301899 0.75 CDK2 (0.54) CDK2CDK1KMT2ACCNE1CDK7
SCHEMBL3299161 0.75 CDK2 (0.47) CDK2CDK1KMT2ACCNE1CDK7

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 claimed
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
EP-2118092-A1 NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-11-18 EP 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 CDK2 8/4885CDK1 15/4885KMT2A 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.