SCHEMBL3298166

SCHEMBL3298166

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(NCc2cncnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
NAMPT P43490 6/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MERTK Q12866 1/20 0.41
IKBKB O14920 4/20 0.40
SYK P43405 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CHUK O15111 3/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3301744 0.92 NAMPT (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3298093 0.92 MAPT (0.50) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3304051 0.91 MAPT (0.47) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3298361 0.90 RAB9A (0.47) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3301666 0.88 TP53 (0.51) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3303975 0.88 RAB9A (0.46) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3300215 0.87 RAB9A (0.45) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3301241 0.87 MAPT (0.45) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3302180 0.87 MAPT (0.44) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL3301679 0.86 RAB9A (0.43) RAB9AMAPTMEN1KMT2ANPC1

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 RAB9A 2993/4885MAPT 3372/4885MEN1 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.