Sugi Predict

Sugi Predict / Compounds / SCHEMBL189351

SCHEMBL189351

SCHEMBL189351

CCn1c(=O)c(Br)cc2c(C)nc(NCc3ccccc3)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.74
▸ HSD17B10 Q99714 3/20 0.74
▸ HPGD P15428 3/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ HTT P42858 2/20 0.74
▸ GLA P06280 1/20 0.74
▸ GAA P10253 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ RXFP1 Q9HBX9 1/20 0.74
▸ PIK3CA P42336 3/20 0.45
▸ ADORA1 P30542 2/20 0.43
▸ TMIGD3 P0DMS9 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL14301327 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL188695 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL189237 0.85 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL189179 0.82 KDM4E (0.79) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL188663 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL1899279 0.80 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL188547 0.79 RXFP1 (0.73) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL188539 0.79 KDM4E (0.73) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL189261 0.78 KDM4E (0.71) ALDH1A1HSD17B10HPGDKDM4EHTT
SCHEMBL188366 0.77 MAPK1 (0.52) ALDH1A1HSD17B10HPGDKDM4EHTT

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 38 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
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-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 — — EP claimed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 — — US claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 — — EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 — — US claimed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 — — US claimed
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 — — EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 — — US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 — — US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 — — US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 — — 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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 — — US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 — — US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 — — US disclosed
WO-2007044698-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 2641/4885HPGD 2378/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB ALDH1A1 1878/4885HSD17B10 1341/4885HPGD 1603/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 ALDH1A1 1153/4885HSD17B10 904/4885HPGD 3566/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885HSD17B10 2641/4885HPGD 2378/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4089/4885HSD17B10 2479/4885HPGD 2180/4885

“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.