SCHEMBL2279146

SCHEMBL2279146

CNC(=O)CNc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(OC)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 7/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TNF P01375 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NOD2 Q9HC29 1/20 0.57
NOD1 Q9Y239 1/20 0.57
PIK3CG P48736 6/20 0.55
PIK3CD O00329 5/20 0.55
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PRKDC P78527 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
ALPL P05186 1/20 0.48

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
SCHEMBL2277777 0.88 PIK3CD (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL190227 0.87 PIK3CG (0.62) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2283556 0.86 PIK3CD (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL188486 0.85 PIK3CG (0.73) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL189464 0.85 PIK3CD (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL189384 0.84 PIK3CD (0.62) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2277780 0.84 MEN1 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL189161 0.83 MEN1 (0.72) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL188605 0.83 PIK3CD (0.56) MEN1KMT2AMAPTKDM4EPIK3CG
SCHEMBL188877 0.83 PIK3CG (0.62) MEN1KMT2AMAPTKDM4EALDH1A1

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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 EP 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 (2 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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885MAPT 3587/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885MAPT 3587/4885

“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.