SCHEMBL3301666

SCHEMBL3301666

Cc1ccc(CNC2CCN(S(=O)(=O)c3ccc(Nc4nccc(Nc5ccc(F)cc5)n4)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IKBKB O14920 3/20 0.49
CHUK O15111 3/20 0.49
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
CDK4 P11802 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EBP Q15125 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41

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
SCHEMBL3298093 0.96 MAPT (0.50) TP53MEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL3304051 0.91 MAPT (0.47) MEN1KMT2ASMN1; SMN2IKBKBCHUK
SCHEMBL3298361 0.91 RAB9A (0.47) MEN1KMT2AIKBKBCHUKMAPT
SCHEMBL3305293 0.91 IKBKB (0.51) TP53MEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL3299915 0.89 IKBKB (0.51) MEN1KMT2AIKBKBCHUKMAPT
SCHEMBL3299301 0.89 MEN1 (0.45) TP53MEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL3298166 0.88 RAB9A (0.46) MEN1KMT2ASMN1; SMN2IKBKBCHUK
SCHEMBL3295562 0.88 MAPT (0.43) TP53MEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL13392487 0.88 MAPT (0.51) MEN1KMT2ASMN1; SMN2IKBKBCHUK
SCHEMBL3301744 0.87 NAMPT (0.53) MEN1KMT2AMAPTLMNANPC1

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-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

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 TP53 468/4885MEN1 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.