SCHEMBL4582467

SCHEMBL4582467

O=C(O)N(Cc1ccc(-c2ccncc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.44
CETP P11597 1/20 0.44
MAPT P10636 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
S1PR1 P21453 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GRM4 Q14833 1/20 0.41
KDR P35968 5/20 0.41
PDK1 Q15118 3/20 0.41
FLT1 P17948 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
PPARD Q03181 1/20 0.39
NOTUM Q6P988 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL28786186 0.92 BLM (0.42) BLMCETPMAPTSLC22A12S1PR1
SCHEMBL4581453 0.90 S1PR1 (0.47) BLMCETPMAPTS1PR1GRM4
SCHEMBL4580512 0.90 HDAC1 (0.41) CETPMAPTSLC22A12S1PR1KDM4A
SCHEMBL4581436 0.88 MAPT (0.48) CETPMAPTSLC22A12S1PR1KDR
SCHEMBL1790501 0.85 ROCK2 (0.47) CETPMAPTS1PR1KDM4AKDM5A
SCHEMBL4582806 0.85 WNT3A (0.42) CETPMAPTSLC22A12S1PR1KDM4A
SCHEMBL1789370 0.85 PDK1 (0.43) CETPMAPTSLC22A12S1PR1KDM4A
SCHEMBL3064689 0.83 TSHR (0.46) CETPMAPTS1PR1PDK1
SCHEMBL1790307 0.82 RIPK1 (0.48) CETPMAPTS1PR1KDM4AKDM5A
SCHEMBL27802487 0.82 S1PR1 (0.46) BLMCETPMAPTS1PR1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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 BLM 4089/4885CETP 1158/4885MAPT 4370/4885

“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.