SCHEMBL219418

SCHEMBL219418

C=CCN(CC=C)CCOc1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.42
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LSS P48449 5/20 0.35
CYP1A2 P05177 1/20 0.34
LTA4H P09960 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3953773 0.78 KDM4E (0.59) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3953775 0.78 KDM4E (0.59) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9940218 0.77 KDM4E (0.61) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL187890 0.77 EBP (0.57) KDM4EKMT2AMEN1EBPSIGMAR1
SCHEMBL18983038 0.76 LSS (0.60) KMT2AMEN1LSS
SCHEMBL920853 0.76 ALDH1A1 (0.43) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10372509 0.75 BCHE (0.45) EBPSIGMAR1CYP1A2LTA4HCYP2D6
SCHEMBL7055956 0.74 KDM4E (0.67) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL920772 0.74 ALDH1A1 (0.54) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5176969 0.73 KDM4E (0.65) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1

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 13 patents. 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 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
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 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
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
EP-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP 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 KDM4E 761/4885KMT2A 1063/4885MEN1 1310/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB KDM4E 2571/4885KMT2A 4376/4885MEN1 2702/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885KMT2A 1063/4885MEN1 1310/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885KMT2A 1033/4885MEN1 1096/4885

“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.