SCHEMBL4064802

SCHEMBL4064802

Cc1c(-c2csc(Nc3cccc4ccccc34)n2)cnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.58
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PLAU P00749 1/20 0.48
MEN1 O00255 1/20 0.47
NSD2 O96028 1/20 0.47
ALPL P05186 1/20 0.47
POLB P06746 1/20 0.47
ALPI P09923 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM4 Q14833 1/20 0.42
GRM2 Q14416 1/20 0.42
ATM Q13315 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL4240363 0.87 CCR4 (0.42) CCR4GAAKDM4EMAPTALDH1A1
SCHEMBL4234726 0.86 CCR4 (0.42) CCR4GAAKDM4EMAPTALDH1A1
SCHEMBL4239559 0.84 PLAU (0.52) GAAKDM4EMAPTALDH1A1PLAU
SCHEMBL4238355 0.84 MAPT (0.55) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL4239615 0.83 PLAU (0.44) GAAKDM4EMAPTALDH1A1PLAU
SCHEMBL12298170 0.81 MAPT (0.54) CCR4GAAKDM4EMAPTALDH1A1
SCHEMBL4233688 0.81 MEN1 (0.50) GAAKDM4EMAPTALDH1A1PLAU
Hydrochloric Acid SCHEMBL6930064 0.80 PTGS2 (0.46) GAAKDM4EMAPTALDH1A1MEN1
SCHEMBL4065329 0.80 PKM (0.47) GAAKDM4EMAPTALDH1A1PLAU
SCHEMBL4246098 0.79 AURKA (0.44) GAAKDM4EMAPTALDH1A1MEN1

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 CCR4 4686/4885GAA 50/4885KDM4E 4092/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 CCR4 4686/4885GAA 50/4885KDM4E 4092/4885

“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.