Sugi Predict

Sugi Predict / Compounds / SCHEMBL189896

SCHEMBL189896

SCHEMBL189896

CCNc1nc(C)c2cc(-n3cccn3)c(=O)n(C(C)C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PIK3CA P42336 14/20 0.39
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ NLRP3 Q96P20 3/20 0.34

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
SCHEMBL15065614 0.87 ALDH1A1 (0.49) ALDH1A1GLAMAPK1HSD17B10KDM4E
SCHEMBL187949 0.85 ALDH1A1 (0.61) ALDH1A1GLAMAPK1HSD17B10KDM4E
SCHEMBL14300937 0.81 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL189818 0.80 PIK3CA (0.60) ALDH1A1MAPK1HSD17B10PIK3CACYP1A2
SCHEMBL188767 0.78 ALDH1A1 (0.70) ALDH1A1GLAMAPK1HSD17B10KDM4E
SCHEMBL14306586 0.76 CDK4 (0.55) —
SCHEMBL188520 0.72 PIK3CA (0.53) ALDH1A1GLAMAPK1HSD17B10KDM4E
SCHEMBL189471 0.72 ALDH1A1 (0.45) ALDH1A1GLAMAPK1HSD17B10KDM4E
SCHEMBL1897918 0.72 PIK3CA (0.46) ALDH1A1GLAMAPK1HSD17B10KDM4E
SCHEMBL188488 0.71 ALDH1A1 (0.46) ALDH1A1GLAMAPK1HSD17B10KDM4E

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 66 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 claimed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 — — US claimed
EP-1940839-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha EXELIXIS INC (US) 2013-07-31 — — EP claimed
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors EXELIXIS, INC (US) 2013-07-04 — — US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 — — US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 — — EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 — — EP claimed
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 claimed
EP-2322523-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha Exelixis, Inc. (US) 2011-05-18 — — EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 — — US claimed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 — — US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 — — EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 — — WO claimed
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 — — EP disclosed
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 — — EP disclosed
US-8901137-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K and mTOR in combination with autophagy inhibitors EXELIXIS, INC. (US) 2014-12-02 — — US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 — — US 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
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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885GLA 3428/4885MAPK1 63/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 ALDH1A1 1153/4885GLA 3664/4885MAPK1 577/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885GLA 3428/4885MAPK1 63/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4089/4885GLA 3698/4885MAPK1 66/4885
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors MTOR, PIK3CA, PIK3CD ALDH1A1 2766/4885GLA 3879/4885MAPK1 199/4885

“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.