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SCHEMBL189016

SCHEMBL189016

CCNc1nc(C)c2cc(Br)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.66
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ GLA P06280 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ CYP1A2 P05177 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL1901232 0.99 PIK3CA (0.64) PIK3CAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL189610 0.95 ALDH1A1 (0.67) PIK3CAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL15580743 0.87 PIK3CA (0.67) PIK3CAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL1981902 0.87 PIK3CA (0.64) PIK3CA
SCHEMBL15580698 0.86 PIK3CA (0.66) PIK3CAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL1982844 0.86 PIK3CA (0.53) PIK3CAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL20614321 0.83 PIK3CA (0.61) PIK3CAALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL3328432 0.81 PIK3CA (0.76) PIK3CAALDH1A1MAPK1HSD17B10CYP1A2
SCHEMBL189888 0.81 PIK3CA (0.55) PIK3CA
SCHEMBL1984055 0.80 PIK3CA (0.84) PIK3CAALDH1A1MAPK1HSD17B10CYP1A2

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 — — US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 — — US disclosed
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 — — 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 (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 PIK3CA 1/4885ALDH1A1 4075/4885MAPK1 63/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 PIK3CA 67/4885ALDH1A1 1153/4885MAPK1 577/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885ALDH1A1 4075/4885MAPK1 63/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CA 1/4885ALDH1A1 4089/4885MAPK1 66/4885
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PIK3CA 3/4885ALDH1A1 1993/4885MAPK1 246/4885
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885ALDH1A1 1690/4885MAPK1 87/4885

“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.