SCHEMBL189950

SCHEMBL189950

CCn1c(=O)c(-c2ccccc2)cc2c(C)nc(Nc3ccc(O)cc3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.49
ACVR1 Q04771 2/20 0.49
NOD2 Q9HC29 2/20 0.49
BTK Q06187 2/20 0.48
LYN P07948 1/20 0.48
PIK3CA P42336 8/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL189165 0.93 FGFR1 (0.51) RIPK2ACVR1NOD2BTKLYN
SCHEMBL188843 0.84 PTK2 (0.50) RIPK2ACVR1NOD2BTKLYN
SCHEMBL2632825 0.83 RIPK2 (0.56) RIPK2ACVR1NOD2BTKLYN
SCHEMBL189326 0.83 ALDH1A1 (0.65) RIPK2ACVR1NOD2BTKPIK3CA
SCHEMBL188755 0.82 RIPK2 (0.76) RIPK2ACVR1NOD2BTKLYN
SCHEMBL188797 0.81 ALDH1A1 (0.63) RIPK2ACVR1NOD2PIK3CAKDM4E
SCHEMBL189162 0.80 RIPK2 (0.55) RIPK2ACVR1NOD2BTKFGFR1
SCHEMBL1898472 0.79 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL188862 0.79 ACVR1 (0.53) RIPK2ACVR1NOD2BTKEGFR
SCHEMBL189237 0.78 HSD17B10 (0.69) BTKPIK3CACDK4CCND1CCND2

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 26 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-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-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP 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-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
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US 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 RIPK2 505/4885ACVR1 3062/4885NOD2 4721/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB RIPK2 990/4885ACVR1 1942/4885NOD2 2140/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 RIPK2 505/4885ACVR1 3062/4885NOD2 4721/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 RIPK2 415/4885ACVR1 3126/4885NOD2 4588/4885

“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.