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Sugi Predict / Compounds / SCHEMBL188808

SCHEMBL188808

SCHEMBL188808

CCNc1nc(C)c2cc(-c3cccc(OC)c3)c(=O)n(CC)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.71
▸ ALDH1A1 P00352 5/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ HPGD P15428 3/20 0.57
▸ GLA P06280 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ CYP1A2 P05177 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ USP2 O75604 4/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ CASP1 P29466 3/20 0.46
▸ CASP7 P55210 3/20 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
SCHEMBL189483 0.89 ALDH1A1 (0.60) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL189326 0.86 ALDH1A1 (0.65) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL189183 0.86 KDM4E (0.59) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL188991 0.86 KDM4E (0.59) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL6128253 0.85 PIK3CA (0.66) PIK3CA
SCHEMBL188797 0.84 ALDH1A1 (0.63) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL188683 0.84 ALDH1A1 (0.57) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL189082 0.84 ALDH1A1 (0.57) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL188809 0.83 KDM4E (0.56) PIK3CAALDH1A1HSD17B10HPGDGLA
SCHEMBL2010655 0.83 PIK3CA (1.00) PIK3CA

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 56 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-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-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-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 — — 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 (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 PIK3CA 1/4885ALDH1A1 4075/4885HSD17B10 2641/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 PIK3CA 67/4885ALDH1A1 1153/4885HSD17B10 904/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885ALDH1A1 4075/4885HSD17B10 2641/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885ALDH1A1 4089/4885HSD17B10 2479/4885
US-20130172371-A1 Methods of Treating Cancer Using Pyridopyrimidinone Inhibitors of PI3K and mTOR in Combination with Autophagy Inhibitors MTOR, PIK3CA, PIK3CD PIK3CA 2/4885ALDH1A1 2766/4885HSD17B10 2765/4885

“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.