SCHEMBL3301437

SCHEMBL3301437

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(NCc2ccc3cccnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.45
MAPT P10636 5/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.41
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
TP53 P04637 1/20 0.40
IKBKB O14920 4/20 0.39
CHRM5 P08912 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CHUK O15111 3/20 0.38
ACHE P22303 1/20 0.37

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 0.90 MAPT (0.50) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3301241 0.88 MAPT (0.45) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3296336 0.88 MAPT (0.44) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3298361 0.87 RAB9A (0.47) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3301744 0.86 NAMPT (0.53) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL3301666 0.86 TP53 (0.51) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3304051 0.85 MAPT (0.47) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3300292 0.85 MAPT (0.42) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3301230 0.85 RAB9A (0.45) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3304510 0.84 MAPT (0.43) MAPTRXFP1RAB9AKMT2AMEN1

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 TGM2 3353/4885MAPT 3372/4885RXFP1 3837/4885

“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.