SCHEMBL1789914

SCHEMBL1789914

CCN1CCN(c2ccc3[nH]c(-c4cc(-c5ccc(NC(=O)NC(C)(C)C)cc5)[nH]n4)nc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.46
FLT1 P17948 2/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
ACHE P22303 2/20 0.44
FLT3 P36888 7/20 0.42
KDR P35968 6/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
JAK2 O60674 1/20 0.41
PRKD1 Q15139 2/20 0.40
HDAC1 Q13547 1/20 0.40
AURKA O14965 2/20 0.40
HPSE Q9Y251 1/20 0.39
CSF1R P07333 2/20 0.38
NTRK1 P04629 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT4 P35916 1/20 0.38
KCNH2 Q12809 1/20 0.38
NTRK3 Q16288 1/20 0.38

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
SCHEMBL1790213 0.86 KDR (0.45) FGFR1ACHEFLT3KDRFGFR2
SCHEMBL1790746 0.86 RAF1 (0.51) FLT1FLT3KDRJAK2PRKD1
SCHEMBL1793901 0.85 RAF1 (0.51) ACHEFLT3KDRCSF1RNTRK1
SCHEMBL1792223 0.82 FLT3 (0.60) FLT1ACHEFLT3KDRPRKD1
SCHEMBL14342660 0.82 ACHE (0.43) FGFR1FLT1ACHEFLT3KDR
SCHEMBL1790523 0.81 FLT3 (0.53) FLT1ACHEFLT3KDRPRKD1
SCHEMBL1793036 0.81 FLT3 (0.51) ACHEFLT3KDRPRKD1AURKA
SCHEMBL1791952 0.80 FLT3 (0.49) ACHEFLT3KDRPRKD1AURKA
SCHEMBL1787792 0.80 FLT3 (0.47) ACHEFLT3KDRPRKD1AURKA
SCHEMBL1791051 0.79 PRKD1 (0.49) ACHEFLT3KDRPRKD1AURKA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US claimed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US claimed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 US disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 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 (3 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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K FGFR1 2014/4885FLT1 2323/4885ABL1 361/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K FGFR1 2793/4885FLT1 2464/4885ABL1 364/4885
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 FGFR1 1591/4885FLT1 482/4885ABL1 503/4885

“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.