SCHEMBL4581907

SCHEMBL4581907

NC(=O)C(N)c1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.51
MAPT P10636 1/20 0.51
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.44
CLK1 P49759 1/20 0.44
RAB9A P51151 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
XDH P47989 1/20 0.42
CREBBP Q92793 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL4369000 0.80 GP6 (0.57) GP6MAPTIDO1ALDH1A1NPC1
SCHEMBL2856871 0.78 PFKFB3 (0.60) GP6MAPTIDO1ALDH1A1NPC1
SCHEMBL30004856 0.78 PFKFB3 (0.60) GP6MAPTIDO1ALDH1A1NPC1
SCHEMBL10053604 0.76 NPC1 (0.65) GP6MAPTIDO1ALDH1A1NPC1
SCHEMBL940146 0.73 GP6 (0.65) GP6MAPTIDO1ALDH1A1NPC1
SCHEMBL4367955 0.72 MAPT (0.69) GP6MAPTIDO1ALDH1A1NPC1
SCHEMBL2646724 0.71 GP6 (0.66) GP6MAPTIDO1ALDH1A1MEN1
SCHEMBL1628598 0.71 GP6 (0.66) GP6MAPTIDO1ALDH1A1MEN1
SCHEMBL788085 0.71 GP6 (0.66) GP6MAPTIDO1ALDH1A1MEN1
SCHEMBL6821875 0.70 FFAR1 (0.42) CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP claimed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP 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
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP disclosed
CN-101959516-B Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2013-05-08 CN disclosed
CN-101959516-A Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2011-01-26 CN disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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 (1 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB GP6 1817/4885MAPT 4370/4885IDO1 4469/4885

“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.