SCHEMBL1897397

SCHEMBL1897397

CCNc1nc(C)c(/C=C/C(=O)O)c(NC2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FLT3 P36888 4/20 0.36
PRKCD Q05655 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
TYRO3 Q06418 3/20 0.36
MERTK Q12866 3/20 0.36
GAS6 Q14393 3/20 0.36
AXL P30530 1/20 0.36
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM3 P20309 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33

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
SCHEMBL1897398 1.00 ADORA3 (0.45) ADORA3ADORA2AADORA1FLT3PRKCD
SCHEMBL12231840 0.88 ADORA3 (0.43) ADORA3ADORA2AADORA1FLT3PRKCD
SCHEMBL6128342 0.88 ADORA3 (0.43) ADORA3ADORA2AADORA1FLT3PRKCD
SCHEMBL1900070 0.74 ADORA3 (0.53) ADORA3ADORA2AADORA1FLT3TYRO3
SCHEMBL8210284 0.73 ALOX15 (0.40) LMNAMEN1KMT2A
SCHEMBL1984281 0.71 CHUK (0.40) ADORA2AADORA1FLT3MERTKAXL
SCHEMBL1984278 0.71 CHUK (0.40) ADORA2AADORA1FLT3MERTKAXL
SCHEMBL1984275 0.71 CHUK (0.40) ADORA2AADORA1FLT3MERTKAXL
SCHEMBL8202941 0.71 CHUK (0.40) ADORA2AADORA1FLT3MERTKAXL
SCHEMBL395555 0.71 PIK3CA (0.39) FLT3MERTKAXLPIK3CA

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 15 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
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
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
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
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 (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-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 ADORA3 2862/4885ADORA2A 4437/4885ADORA1 4047/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K ADORA3 3732/4885ADORA2A 4011/4885ADORA1 4002/4885
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha PIK3CA, PIK3CD, PIK3CB ADORA3 2221/4885ADORA2A 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.