SCHEMBL3302180

SCHEMBL3302180

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(NCc2cncs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX12 P18054 1/20 0.44
MERTK Q12866 1/20 0.42
CA2 P00918 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NAMPT P43490 1/20 0.40
IKBKB O14920 7/20 0.39
CHUK O15111 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SYK P43405 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CDK2 P24941 2/20 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
SCHEMBL3299564 0.89 MAPT (0.44) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3298093 0.87 MAPT (0.50) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3298166 0.87 RAB9A (0.46) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3303975 0.87 RAB9A (0.46) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3304051 0.86 MAPT (0.47) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3298146 0.86 MEN1 (0.42) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3301679 0.86 RAB9A (0.43) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3302476 0.86 MEN1 (0.43) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3301744 0.86 NAMPT (0.53) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL3300215 0.86 RAB9A (0.45) MAPTMEN1KMT2ARAB9ALMNA

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 3372/4885MEN1 3381/4885KMT2A 2104/4885

“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.