SCHEMBL189237

SCHEMBL189237

CCn1c(=O)c(Br)cc2c(C)nc(Nc3ccccc3)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 1/20 0.69
GLA P06280 1/20 0.69
GAA P10253 1/20 0.69
HPGD P15428 1/20 0.69
MAPK1 P28482 1/20 0.69
HTT P42858 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
FGFR1 P11362 3/20 0.47
CDK4 P11802 3/20 0.47
CCNA2 P20248 3/20 0.47
CCND1 P24385 3/20 0.47
CDK2 P24941 3/20 0.47
CCNB2 O95067 2/20 0.47
CCNE2 O96020 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
FGFR2 P21802 2/20 0.47
FGFR4 P22455 2/20 0.47

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
SCHEMBL189479 0.89 ALDH1A1 (0.66) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL188663 0.85 ALDH1A1 (0.65) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL189165 0.85 FGFR1 (0.51) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL189351 0.85 ALDH1A1 (0.74) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL188366 0.83 MAPK1 (0.52) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL189179 0.83 KDM4E (0.79) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL189169 0.82 KDM4E (0.58) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL190014 0.82 KDM4E (0.58) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL188921 0.82 MAPK1 (0.58) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL3339784 0.82 KDM4E (0.58) HSD17B10ALDH1A1KDM4EGLAGAA

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 32 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
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US claimed
EP-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
WO-2007044698-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 WO claimed
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-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-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO 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 (4 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 HSD17B10 2641/4885ALDH1A1 4075/4885KDM4E 761/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB HSD17B10 1341/4885ALDH1A1 1878/4885KDM4E 2571/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 HSD17B10 2641/4885ALDH1A1 4075/4885KDM4E 761/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 HSD17B10 2479/4885ALDH1A1 4089/4885KDM4E 729/4885

“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.