SCHEMBL3302472

SCHEMBL3302472

Cc1nc(F)ccc1CNC1CCN(S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
IKBKB O14920 13/20 0.44
CHUK O15111 12/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL3298134 0.93 MAPT (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3298093 0.88 MAPT (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL14095937 0.87 MAPT (0.41) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3301666 0.87 TP53 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3296543 0.87 RAB9A (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3300194 0.87 MEN1 (0.42) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3305180 0.87 MEN1 (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL13392487 0.87 MAPT (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3301230 0.87 RAB9A (0.45) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3300215 0.87 RAB9A (0.45) MEN1KMT2AMAPTRAB9ANPC1

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 MEN1 3381/4885KMT2A 2104/4885MAPT 3372/4885

“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.