SCHEMBL12372466

SCHEMBL12372466

Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC=O)cc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.50
MAPT P10636 13/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 5/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
GAA P10253 4/20 0.47
POLB P06746 3/20 0.47
GFER P55789 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
EGFR P00533 1/20 0.46
GLA P06280 1/20 0.46
CDC25A P30304 1/20 0.46

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
SCHEMBL1792573 0.87 MAPT (0.60) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL1792664 0.84 CDC25A (0.60) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL1795225 0.84 TTR (0.72) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL12372468 0.83 PIK3CD (0.58) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL16239336 0.82 MAPT (0.50) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL15256290 0.82 MEN1 (0.60) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL14050588 0.82 MAPT (0.52) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL15256299 0.81 KDM4E (0.67) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL15095999 0.80 MEN1 (0.61) TTRMAPTMEN1KMT2AKDM4E
SCHEMBL1788225 0.79 MAPT (0.56) TTRMAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
US-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed
US-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer EXELIXIS, INC. (US) 2014-09-18 US disclosed
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer EXELIXIS, INC. (US) 2014-09-18 US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 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 (3 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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG TTR 4884/4885MAPT 3587/4885MEN1 3161/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K TTR 4526/4885MAPT 4242/4885MEN1 1197/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 TTR 4261/4885MAPT 1653/4885MEN1 2255/4885

“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.