SCHEMBL4582256

SCHEMBL4582256

[CH2]c1ccc(-c2ccc(C)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PDE10A Q9Y233 3/20 0.38
PTGS2 P35354 2/20 0.38
TDO2 P48775 1/20 0.38
IDO1 P14902 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL17051516 0.90 HPGDS (0.54) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL676678 0.87 HPGDS (0.56) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17051529 0.83 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2757249 0.83 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13231657 0.83 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL538283 0.81 NPC1 (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17051518 0.81 HPGDS (0.47) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12359218 0.81 NPC1 (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15025716 0.80 HPGDS (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4582712 0.80 PIK3CD (0.43) HPGDSPIK3CDPIK3CAPIK3CBPI4KA

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 2 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 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 HPGDS 1187/4885PIK3CD 575/4885PIK3CA 361/4885

“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.