SCHEMBL1789693

SCHEMBL1789693

Cn1nnc(-c2cccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.50
MAPT P10636 5/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
CETP P11597 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.45
RAF1 P04049 2/20 0.44
BRAF P15056 1/20 0.44
AHR P35869 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
EIF2AK2 P19525 1/20 0.44
TP53 P04637 1/20 0.44
RET P07949 1/20 0.43

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
SCHEMBL1788587 0.83 NOTUM (0.54) CDK8MAPTUSP2HTTLMNA
SCHEMBL1790730 0.81 CDK8 (0.55) CDK8MAPTUSP2HTTLMNA
SCHEMBL1790825 0.80 CDK8 (0.56) CDK8MAPTUSP2HTTLMNA
SCHEMBL1791475 0.79 MKNK1 (0.56) CDK8MAPTUSP2HTTRAF1
SCHEMBL1789694 0.78 MEN1 (0.53) CDK8MAPTUSP2HTTLMNA
SCHEMBL1793384 0.78 NOTUM (0.55) CDK8MAPTUSP2HTTLMNA
SCHEMBL1794021 0.78 TP53 (0.67) MAPTRAB9AALDH1A1TP53
SCHEMBL1788600 0.77 CDK8 (0.52) CDK8MAPTUSP2HTTLMNA
SCHEMBL1791873 0.77 CDK8 (0.56) CDK8MAPTUSP2HTTLMNA
SCHEMBL1792125 0.77 SERPINE1 (0.57) CDK8MAPTUSP2HTTLMNA

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 17 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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US 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-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 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-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US 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 (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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB CDK8 265/4885MAPT 4370/4885USP2 2244/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K CDK8 610/4885MAPT 3399/4885USP2 857/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K CDK8 643/4885MAPT 4242/4885USP2 864/4885

“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.