SCHEMBL4065329

SCHEMBL4065329

Cc1cc(C)cc(Nc2nc(-c3cnn(-c4ccccc4)c3C)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
PLAU P00749 2/20 0.46
RAB9A P51151 5/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GRM2 Q14416 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
PTGS2 P35354 3/20 0.42
NR2F2 P24468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL12298170 0.92 MAPT (0.54) PLAURAB9AKMT2AMAPTHTT
SCHEMBL4239559 0.91 PLAU (0.52) PKMPLAURAB9AKMT2AMAPT
SCHEMBL4233688 0.90 MEN1 (0.50) PLAURAB9AKMT2AMAPTHTT
SCHEMBL4067193 0.85 VCP (0.57) PKMPLAURAB9AKMT2AMAPT
SCHEMBL4242424 0.85 ALOX5 (0.54) PLAURAB9AKMT2AMAPTMEN1
SCHEMBL4243912 0.85 MEN1 (0.52) PKMPLAURAB9AKMT2AMAPT
SCHEMBL4057215 0.85 CYP1A2 (0.54) PKMPLAURAB9AKMT2AMAPT
SCHEMBL4241367 0.84 AMY1A (0.62) PKMPLAURAB9AKMT2AMAPT
SCHEMBL4066150 0.84 PLAU (0.57) PLAURAB9AKMT2AMAPTMEN1
SCHEMBL4239615 0.83 PLAU (0.44) PLAURAB9AKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
WO-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR ADDEX PHARMA S.A. (CH) 2009-01-22 WO disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 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 (2 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 PKM 2629/4885PLAU 1918/4885RAB9A 2158/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 PKM 2629/4885PLAU 1918/4885RAB9A 2158/4885

“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.