SCHEMBL3305293

SCHEMBL3305293

COc1ccc(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
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCND3 P30281 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK6 Q00534 1/20 0.48
ADRB1 P08588 1/20 0.46

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 0.93 MAPT (0.50) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3301666 0.91 TP53 (0.51) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3295519 0.90 MEN1 (0.41) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3304051 0.89 MAPT (0.47) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3298361 0.89 RAB9A (0.47) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3295562 0.89 MAPT (0.43) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3299915 0.87 IKBKB (0.51) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3306885 0.86 KMT2A (0.43) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL3298166 0.86 RAB9A (0.46) IKBKBCHUKMEN1KMT2ANPC1
SCHEMBL13392487 0.85 MAPT (0.51) IKBKBCHUKMEN1KMT2ANPC1

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 IKBKB 2/4885CHUK 1/4885MEN1 3381/4885

“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.