SCHEMBL1900436

SCHEMBL1900436

CSc1nc(C)c(C=CC(=O)O)c(NC(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
DPP4 P27487 1/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.31
CNKSR1 Q969H4 1/20 0.30

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
SCHEMBL1900433 1.00 ALDH1A1 (0.37) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL1898974 0.83 CNKSR1 (0.40) ALDH1A1KDM4EMAPK1DPP4HSD17B10
SCHEMBL23141786 0.80 ALDH1A1 (0.41) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL1898975 0.78 KDM4E (0.35) ALDH1A1KDM4EMAPK1L3MBTL1HSD17B10
SCHEMBL1898976 0.78 KDM4E (0.35) ALDH1A1KDM4EMAPK1L3MBTL1HSD17B10
SCHEMBL20614361 0.72 PDE10A (0.37) KDM4EMAPK1L3MBTL1HSD17B10LMNA
SCHEMBL1898608 0.69 MAPK1 (0.34) KDM4EMAPK1L3MBTL1HSD17B10LMNA
SCHEMBL1900695 0.69 CNKSR1 (0.41) ALDH1A1KDM4EMAPK1DPP4HSD17B10
SCHEMBL1060590 0.68 CA1 (0.52) ALDH1A1GAAMAPK1L3MBTL1HSD17B10
SCHEMBL21282844 0.66 CA1 (0.39) GAAMAPK1L3MBTL1HSD17B10LMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
EP-1940839-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha EXELIXIS INC (US) 2013-07-31 EP disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP disclosed
EP-2142543-B1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-05-22 EP disclosed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 US disclosed
WO-2012065019-A2 PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2012-05-18 WO disclosed
US-8044062-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors of phospatidylinositol 3-kinase alpha EXELIXIS, INC. (US) 2011-10-25 US disclosed
EP-2142543-A1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-13 EP disclosed
EP-2139484-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA Exelixis, Inc. (US) 2010-01-06 EP disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
WO-2008127678-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 WO disclosed
EP-1940839-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha Exelixis, Inc. (US) 2008-07-09 EP disclosed
EP-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP disclosed
WO-2007044813-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 WO disclosed
WO-2007044698-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 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 (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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB ALDH1A1 1878/4885GAA 935/4885KDM4E 2571/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 ALDH1A1 1153/4885GAA 2884/4885KDM4E 1016/4885

“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.