SCHEMBL1904754

SCHEMBL1904754

Cc1nc(NCc2ccccc2)nc(N)c1I

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.56
ADORA2A P29274 4/20 0.55
ADORA1 P30542 4/20 0.55
ADORA3 P0DMS8 2/20 0.55
ADORA2B P29275 2/20 0.55
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TMIGD3 P0DMS9 1/20 0.46
HTT P42858 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
SCHEMBL6128301 0.77 APP (0.57) APPNPSR1
Hydrochloric Acid SCHEMBL5478228 0.76 APP (0.67) APPADORA2AADORA1ADORA3ADORA2B
SCHEMBL3726677 0.76 LMNA (0.41) GAAHTT
SCHEMBL7145887 0.74 ADORA2A (0.58) APPADORA2AADORA1ADORA3ADORA2B
SCHEMBL3298289 0.73 KCNH3 (0.73) APPGAAMAPTNPSR1
SCHEMBL14869439 0.72 GAA (0.71) APPADORA2AGAASMN1; SMN2NPSR1
SCHEMBL6727019 0.72 NPSR1 (0.74) APPADORA2AGAASMN1; SMN2NPSR1
SCHEMBL3301514 0.72 NPSR1 (0.74) APPADORA2AGAASMN1; SMN2NPSR1
SCHEMBL5465696 0.71 APP (0.59) APPADORA2AADORA1ADORA3ADORA2B
SCHEMBL6024935 0.71 APP (0.59) APPADORA2AADORA1ADORA3ADORA2B

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 18 patents. 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
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS, INC. (US) 2011-09-29 US disclosed
EP-2322523-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha Exelixis, Inc. (US) 2011-05-18 EP disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 US 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
EP-1940839-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044813-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 (5 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 APP 4237/4885ADORA2A 3246/4885ADORA1 2647/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 APP 3733/4885ADORA2A 4437/4885ADORA1 4047/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K APP 3659/4885ADORA2A 4011/4885ADORA1 4002/4885
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD APP 2653/4885ADORA2A 3421/4885ADORA1 2698/4885
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha PIK3CA, PIK3CD, PIK3CB APP 4361/4885ADORA2A 2834/4885ADORA1 2286/4885

“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.