SCHEMBL189156

SCHEMBL189156

CCn1c(=O)c(-c2cccs2)cc2c(C)nc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.54
PAK1 Q13153 4/20 0.51
PKN1 Q16512 2/20 0.51
PAK4 O96013 1/20 0.51
PAK3 O75914 2/20 0.51
PAK2 Q13177 2/20 0.51
CDK4 P11802 5/20 0.49
CCND1 P24385 5/20 0.49
CCND2 P30279 5/20 0.49
CCND3 P30281 5/20 0.49
FGFR1 P11362 2/20 0.46
SRC P12931 2/20 0.46
MAP3K7 O43318 1/20 0.46
FLT3 P36888 1/20 0.45
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
NUAK1 O60285 1/20 0.43
MARK3 P27448 1/20 0.43
MARK2 Q7KZI7 1/20 0.43

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
SCHEMBL188946 0.94 WEE1 (0.47) WEE1PAK1PKN1PAK4PAK3
SCHEMBL14306579 0.92 CDK4 (0.46) WEE1PAK1PKN1PAK4PAK3
SCHEMBL4352016 0.90 WEE1 (0.44) WEE1PAK1PKN1PAK4PAK3
SCHEMBL189185 0.90 WEE1 (0.46) WEE1PAK1PKN1PAK4PAK3
SCHEMBL4225865 0.86 WEE1 (0.54) WEE1PAK1PKN1PAK4PAK3
SCHEMBL189076 0.84 CDK4 (0.42) WEE1CDK4CCND1CCND2CCND3
SCHEMBL11986398 0.83 WEE1 (0.51) WEE1PAK1PKN1PAK4PAK3
SCHEMBL11986639 0.83 WEE1 (0.51) WEE1PAK1PKN1PAK4PAK3
SCHEMBL189169 0.83 KDM4E (0.58) WEE1PAK1PKN1PAK4PAK3
SCHEMBL13553550 0.81 WEE1 (0.69) WEE1PAK1PKN1PAK4PAK3

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 28 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-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-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP 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-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 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 WEE1 311/4885PAK1 127/4885PKN1 757/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB WEE1 358/4885PAK1 73/4885PKN1 262/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 WEE1 311/4885PAK1 127/4885PKN1 757/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 WEE1 334/4885PAK1 118/4885PKN1 749/4885

“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.