SCHEMBL3304510

SCHEMBL3304510

O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(NCc2cccc3cccnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRK1 P41145 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 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
SCHEMBL3301230 0.91 RAB9A (0.45) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3300292 0.90 MAPT (0.42) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3296619 0.90 RAB9A (0.43) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3296543 0.89 RAB9A (0.46) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3304646 0.88 MAPT (0.42) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3298134 0.86 MAPT (0.47) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3298093 0.86 MAPT (0.50) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3306885 0.86 KMT2A (0.43) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3299783 0.86 MAPT (0.43) MAPTRAB9AMAPK1MEN1NPC1
SCHEMBL3298361 0.85 RAB9A (0.47) MAPTRAB9AMAPK1MEN1NPC1

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 3372/4885RAB9A 2993/4885MAPK1 272/4885

“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.