SCHEMBL1790796

SCHEMBL1790796

CN1CCN(c2ccc3[nH]c(-c4cc(-c5ccc(NC(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)cc5)[nH]n4)nc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.53
BRAF P15056 2/20 0.53
KDR P35968 9/20 0.48
PRKD1 Q15139 2/20 0.46
FLT3 P36888 10/20 0.45
AURKA O14965 6/20 0.45
FLT4 P35916 2/20 0.44
CSF1R P07333 2/20 0.44
PDGFRA P16234 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
BTK Q06187 1/20 0.43
MELK Q14680 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
ACHE P22303 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
SCHEMBL5526868 0.94 RAF1 (0.51) RAF1BRAFKDRPRKD1FLT3
SCHEMBL3846759 0.94 RAF1 (0.53) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1793901 0.93 RAF1 (0.51) RAF1BRAFKDRFLT3FLT4
SCHEMBL1793095 0.92 PRKD1 (0.46) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1792934 0.91 PRKD1 (0.49) RAF1KDRPRKD1FLT3AURKA
Urea SCHEMBL5526915 0.89 PRKD1 (0.47) RAF1KDRPRKD1FLT3AURKA
SCHEMBL1790523 0.89 FLT3 (0.53) KDRPRKD1FLT3AURKAMAPT
SCHEMBL5528791 0.88 RAF1 (0.51) RAF1BRAFKDRPRKD1FLT3
SCHEMBL1787792 0.88 FLT3 (0.47) RAF1KDRPRKD1FLT3AURKA
SCHEMBL1791940 0.88 RAF1 (0.53) RAF1BRAFKDRPRKD1FLT3

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 RAF1 63/4885BRAF 81/4885KDR 2390/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RAF1 32/4885BRAF 156/4885KDR 3082/4885
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 RAF1 60/4885BRAF 36/4885KDR 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.