SCHEMBL4581655

SCHEMBL4581655

O=C(COc1cccc(-n2cnnc2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.47
GRM4 Q14833 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDR P35968 1/20 0.47
CDK8 P49336 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL1794021 0.87 TP53 (0.67) MAPTALDH1A1RAB9ATP53KMT2A
SCHEMBL1790138 0.85 NOTUM (0.55) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL15677890 0.83 MAPT (0.52) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL1788165 0.83 L3MBTL1 (0.65) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL15677827 0.83 MAPT (0.50) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL14192705 0.82 MAPT (0.49) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL1793384 0.81 NOTUM (0.55) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL4581192 0.81 MAPT (0.51) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL15677884 0.81 CETP (0.48) MAPTUSP2HTTKCNJ5KCNJ3
SCHEMBL15663249 0.81 DDT (0.56) MAPTUSP2HTTKCNJ5KCNJ3

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 12 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-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP 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
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP 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
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 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 (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 MAPT 4370/4885USP2 2244/4885HTT 4404/4885

“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.