SCHEMBL1233129

SCHEMBL1233129

Nc1nc2ccccc2c2c1nc1n2CCN(S(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
TLR7 Q9NYK1 10/20 0.38
MAPT P10636 1/20 0.36
TLR8 Q9NR97 4/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL1233130 0.94 GBA1 (0.40) GBA1MEN1KMT2APKMTLR7
SCHEMBL12888471 0.85 TLR7 (0.41) GBA1MEN1KMT2APKMTLR7
Trifluoroacetic Acid SCHEMBL1232744 0.85 LIPG (0.39) GBA1MEN1KMT2APKMTLR7
SCHEMBL12097679 0.84 MEN1 (0.48) MEN1KMT2ATLR7TLR8GAA
SCHEMBL1231786 0.79 TLR7 (0.40) GBA1TLR7TLR8HTR3AHRH4
Trifluoroacetic Acid SCHEMBL1233243 0.79 TLR7 (0.38) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL1233267 0.76 ALDH1A1 (0.46) TLR7MAPTTLR8ALDH1A1HTT
SCHEMBL1233114 0.74 TLR7 (0.39) TLR7TLR8KDM4EALDH1A1GLA
SCHEMBL1233314 0.73 TLR7 (0.39) TLR7TLR8
SCHEMBL1232863 0.73 PKM (0.38) PKMALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
EP-1699792-A1 PIPERAZINE, 1,4¨DIAZEPANE, 1,4¨DIAZOCANE, AND 1,5¨DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 GBA1 1867/4885MEN1 705/4885KMT2A 2219/4885

“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.