SCHEMBL3301241

SCHEMBL3301241

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(NCc2cccc(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 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
NTRK1 P04629 1/20 0.45
NAMPT P43490 2/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PKM P14618 2/20 0.42
TSHR P16473 1/20 0.42
IKBKB O14920 2/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
JAK2 O60674 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
SCHEMBL3298361 0.92 RAB9A (0.47) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3298093 0.91 MAPT (0.50) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL13392556 0.91 IKBKB (0.48) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3301744 0.90 NAMPT (0.53) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3304051 0.89 MAPT (0.47) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3301437 0.88 TGM2 (0.45) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3298166 0.87 RAB9A (0.46) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3301666 0.87 TP53 (0.51) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3295562 0.87 MAPT (0.43) MAPTKMT2ARAB9AMEN1NPC1
SCHEMBL3296336 0.86 MAPT (0.44) MAPTKMT2ARAB9AMEN1NPC1

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 MAPT 3372/4885KMT2A 2104/4885RAB9A 2993/4885

“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.