SCHEMBL12297751

SCHEMBL12297751

Cc1c(-c2csc(Nc3cccc(C#N)c3)n2)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
VCP P55072 1/20 0.44
PLAU P00749 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL12298170 0.88 MAPT (0.54) PLAUMAPTMEN1KMT2AHTT
SCHEMBL4239559 0.86 PLAU (0.52) PLAUMAPTMEN1KMT2AHTT
SCHEMBL4057215 0.85 CYP1A2 (0.54) PLAUCYP1A1CYP1A2CYP1B1MAPT
SCHEMBL4243912 0.85 MEN1 (0.52) PLAUMAPTMEN1KMT2AHTT
SCHEMBL4239248 0.83 CFTR (0.56) CFTRPLAUMAPTMEN1KMT2A
SCHEMBL12298161 0.82 PIM1 (0.62) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL12298158 0.82 VCP (0.53) CFTRVCPPLAUMAPTMEN1
SCHEMBL4065329 0.82 PKM (0.47) PLAUMAPTMEN1KMT2AHTT
SCHEMBL4233688 0.81 MEN1 (0.50) VCPPLAUCYP1A2MAPTMEN1
SCHEMBL14458564 0.81 PIM1 (0.52) CYP1A2MAPTMEN1KMT2ARAB9A

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
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
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

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 CFTR 3990/4885VCP 635/4885PLAU 1918/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 CFTR 3990/4885VCP 635/4885PLAU 1918/4885

“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.