SCHEMBL4581436

SCHEMBL4581436

O=C(O)N(Cc1ccc(-c2cccnc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
PDK1 Q15118 6/20 0.46
NR1H4 Q96RI1 1/20 0.45
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
KDR P35968 3/20 0.42
CYP3A4 P08684 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
NAMPT P43490 1/20 0.41
CETP P11597 1/20 0.41
S1PR1 P21453 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL27802485 0.93 MKNK1 (0.46) MAPTPDK1NR1H4MKNK1MKNK2
SCHEMBL4583491 0.92 NR1H4 (0.48) MAPTPDK1NR1H4MKNK1MKNK2
SCHEMBL4580512 0.89 HDAC1 (0.41) MAPTPDK1NR1H4SLC22A12CETP
SCHEMBL4582467 0.88 BLM (0.44) MAPTPDK1KDRSLC22A12CETP
SCHEMBL1789370 0.86 PDK1 (0.43) MAPTPDK1NR1H4KDRSLC22A12
SCHEMBL4582806 0.84 WNT3A (0.42) MAPTPDK1NR1H4SLC22A12CETP
SCHEMBL4581775 0.84 MAPT (0.45) MAPTPDK1NR1H4KDRSLC22A12
SCHEMBL27802447 0.84 NR1H4 (0.47) MAPTPDK1NR1H4MKNK1MKNK2
SCHEMBL4582429 0.83 S1PR1 (0.46) MAPTPDK1NR1H4CETPS1PR1
SCHEMBL4581453 0.83 S1PR1 (0.47) MAPTPDK1NR1H4KDRCETP

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 9 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-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
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 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 MAPT 4370/4885PDK1 277/4885NR1H4 4087/4885

“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.