Sugi Predict

Sugi Predict / Compounds / SCHEMBL188690

SCHEMBL188690

SCHEMBL188690

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.71
▸ HSD17B10 Q99714 9/20 0.71
▸ GLA P06280 5/20 0.71
▸ GAA P10253 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ HTT P42858 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ RXFP1 Q9HBX9 1/20 0.71
▸ CYP1A2 P05177 8/20 0.49
▸ CASP1 P29466 8/20 0.49
▸ CASP7 P55210 8/20 0.49
▸ CLK4 Q9HAZ1 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ PIK3CA P42336 9/20 0.44
▸ CYP3A4 P08684 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2D6 P10635 5/20 0.41

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
SCHEMBL188994 0.90 ALDH1A1 (0.70) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL15580741 0.89 ALDH1A1 (0.78) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL188500 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL188758 0.87 ALDH1A1 (0.74) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL3693426 0.86 ALDH1A1 (0.81) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL189075 0.86 ALDH1A1 (0.73) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL189499 0.84 ALDH1A1 (0.78) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL188695 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL1898127 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10GLAGAAHPGD
SCHEMBL188562 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10GLAGAAHPGD

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 59 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
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-20140302012-A1 Combination Therapies for Treating Hematologic Malignancies Using Pyridopyrimidinone Inhibitors of PI3K/mTOR with Bendamustine and/or Rituximab SANOFI (FR) 2014-10-09 — — 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
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
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 4075/4885HSD17B10 2641/4885GLA 3428/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 ALDH1A1 1153/4885HSD17B10 904/4885GLA 3664/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885HSD17B10 2641/4885GLA 3428/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4089/4885HSD17B10 2479/4885GLA 3698/4885
US-20140302012-A1 Combination Therapies for Treating Hematologic Malignancies Using Pyridopyrimidinone Inhibitors of PI3K/mTOR with Bendamustine and/or Rituximab BTK, MTOR, BCL6 ALDH1A1 1452/4885HSD17B10 3254/4885GLA 4816/4885

“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.