SCHEMBL3296336

SCHEMBL3296336

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(NCc2ccc3nonc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 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
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
IKBKB O14920 7/20 0.39
MERTK Q12866 2/20 0.39
CHUK O15111 4/20 0.38
TP53 P04637 1/20 0.38
NAMPT P43490 1/20 0.38
SYK P43405 1/20 0.37
CCNE1 P24864 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
SCHEMBL3301437 0.88 TGM2 (0.45) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3301241 0.86 MAPT (0.45) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3301666 0.86 TP53 (0.51) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3298361 0.85 RAB9A (0.47) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3304051 0.85 MAPT (0.47) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL4651906 0.84 MEN1 (0.40) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL3304912 0.84 HSP90AA1 (0.43) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3298166 0.84 RAB9A (0.46) MAPTRXFP1RAB9AKMT2AMEN1
SCHEMBL3295562 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 MAPT 3372/4885RXFP1 3837/4885RAB9A 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.