SCHEMBL1793467

SCHEMBL1793467

CN1CCN(c2ccc3[nH]c(-c4cc(-c5ccc(NC(=O)Nc6ccc(F)cc6F)cc5)[nH]n4)nc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
KDR P35968 10/20 0.46
FLT3 P36888 10/20 0.46
AURKA O14965 7/20 0.46
PRKD1 Q15139 3/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MELK Q14680 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL1793036 0.93 FLT3 (0.51) MAPTTP53KDRFLT3AURKA
SCHEMBL1789052 0.92 KDR (0.51) KDRFLT3AURKAPRKD1KIT
SCHEMBL1791952 0.90 FLT3 (0.49) KDRFLT3AURKAPRKD1ACHE
SCHEMBL1790675 0.89 PRKD1 (0.54) KDRFLT3AURKAPRKD1KIT
SCHEMBL1791051 0.89 PRKD1 (0.49) KDRFLT3AURKAPRKD1ACHE
SCHEMBL1792223 0.88 FLT3 (0.60) KDRFLT3AURKAPRKD1ACHE
SCHEMBL1791179 0.87 KDR (0.48) MAPTTP53KDRFLT3AURKA
SCHEMBL1790523 0.87 FLT3 (0.53) MAPTKDRFLT3AURKAPRKD1
SCHEMBL1793052 0.87 KDR (0.46) MAPTTP53KDRFLT3AURKA
SCHEMBL1789186 0.86 PRKD1 (0.57) MAPTTP53KDRFLT3AURKA

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 19 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
EP-1797072-A4 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-09-09 EP 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
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 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 (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 MAPT 3399/4885TP53 1/4885KDR 2390/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K MAPT 4242/4885TP53 1/4885KDR 3082/4885
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 MAPT 3472/4885TP53 507/4885KDR 422/4885

“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.