SCHEMBL189162

SCHEMBL189162

CCn1c(=O)c(-c2ccccc2)cc2c(C)nc(Nc3ccc(OCCN4CCCCC4)cc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.55
ACVR1 Q04771 3/20 0.55
NOD2 Q9HC29 3/20 0.55
HRH3 Q9Y5N1 3/20 0.51
ADRA1A P35348 2/20 0.51
KCNH2 Q12809 2/20 0.51
SRC P12931 4/20 0.51
YES1 P07947 2/20 0.51
KDR P35968 2/20 0.51
EPHB4 P54760 2/20 0.51
FGFR1 P11362 1/20 0.51
JAK2 O60674 5/20 0.49
JAK3 P52333 5/20 0.49
PTK2 Q05397 4/20 0.49
SLC2A1 P11166 1/20 0.46
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
BTK Q06187 1/20 0.46
INSR P06213 1/20 0.45
AXL P30530 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
SCHEMBL188862 0.92 ACVR1 (0.53) RIPK2ACVR1NOD2SRCYES1
SCHEMBL188755 0.84 RIPK2 (0.76) RIPK2ACVR1NOD2SRCFGFR1
SCHEMBL2632825 0.84 RIPK2 (0.56) RIPK2ACVR1NOD2SRCFGFR1
SCHEMBL189165 0.82 FGFR1 (0.51) RIPK2ACVR1NOD2SRCKDR
SCHEMBL189950 0.80 RIPK2 (0.49) RIPK2ACVR1NOD2FGFR1BTK
SCHEMBL188843 0.80 PTK2 (0.50) RIPK2ACVR1NOD2SRCJAK2
SCHEMBL4342360 0.76 PTK2 (0.48) JAK2PTK2BTK
SCHEMBL188626 0.75 FGFR1 (0.48) HRH3SRCKDRFGFR1JAK2
SCHEMBL189373 0.74 PIK3CA (0.47) FGFR1
SCHEMBL189326 0.74 ALDH1A1 (0.65) RIPK2ACVR1NOD2BTK

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
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 (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.