Sugi Predict

Sugi Predict / Compounds / SCHEMBL190012

SCHEMBL190012

SCHEMBL190012

CCNc1nc(C)c2cc(-c3ccc(Cl)cc3Cl)c(=O)n(CC)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ PAK1 Q13153 7/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ PKN1 Q16512 2/20 0.47
▸ CRHR1 P34998 2/20 0.45
▸ PIK3CA P42336 8/20 0.44
▸ PAK2 Q13177 2/20 0.44
▸ PAK3 O75914 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ LIMK2 P53671 1/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42

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
SCHEMBL14316361 0.88 PAK1 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL188738 0.87 HSD17B10 (0.63) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL189183 0.84 KDM4E (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1898695 0.84 PIK3CA (0.60) PAK1PAK4PKN1CRHR1PIK3CA
SCHEMBL189809 0.82 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15580670 0.82 PAK1 (0.64) PAK1PAK4PKN1PAK2PAK3
SCHEMBL188692 0.81 ALDH1A1 (0.60) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL189326 0.80 ALDH1A1 (0.65) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL188970 0.80 ALDH1A1 (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1901366 0.80 ALDH1A1 (0.61) KDM4EALDH1A1GLAGAAHPGD

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 55 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
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS, INC. (US) 2011-09-29 — — 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-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-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-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
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 — — US 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 (6 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 KDM4E 761/4885ALDH1A1 4075/4885GLA 3428/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 KDM4E 1016/4885ALDH1A1 1153/4885GLA 3664/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885ALDH1A1 4075/4885GLA 3428/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885ALDH1A1 4089/4885GLA 3698/4885
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha PIK3CA, PIK3CD, PIK3CB KDM4E 2601/4885ALDH1A1 1690/4885GLA 3363/4885
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors MTOR, PIK3CA, PIK3CD KDM4E 1428/4885ALDH1A1 2766/4885GLA 3879/4885

“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.