SCHEMBL3459818

SCHEMBL3459818

CCOC(=O)c1nc(-c2ccc(Br)cc2)[nH]c1NC(=O)CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
TARBP2 Q15633 1/20 0.45
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
CACNA1F O60840 1/20 0.37
ABCB1 P08183 1/20 0.37
CACNA1D Q01668 1/20 0.37

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
SCHEMBL3459150 0.75 SIRT2 (0.57) SIRT2TARBP2HTTKDM4ETP53
SCHEMBL3454990 0.72 RAB9A (0.47) TARBP2HTTKDM4ETP53SMN1; SMN2
SCHEMBL29764175 0.72 BRD4 (0.47) TARBP2HTTKDM4ETP53HSD17B10
SCHEMBL21831480 0.72 BRD4 (0.47) TARBP2HTTKDM4ETP53HSD17B10
SCHEMBL30101740 0.70 BRD4 (0.47) HTTKDM4EHSD17B10MAPTCYP1A2
SCHEMBL5919012 0.69 THRB (0.63) HTTKDM4ETP53SMN1; SMN2MAPT
SCHEMBL25389928 0.69 BRD4 (0.49) HTTKDM4EHSD17B10MAPTMEN1
SCHEMBL31288369 0.69 BRD4 (0.49) HTTKDM4EHSD17B10MAPTMEN1
SCHEMBL7990062 0.69 SIRT2 (0.53) SIRT2TARBP2HTTKDM4ETP53
SCHEMBL22224841 0.69 HSD17B10 (0.52) HTTKDM4ESMN1; SMN2HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
EP-2240016-A1 AMPK MODULATORS Mercury Therapeutics, Inc. (US) 2010-10-20 EP disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 WO 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 (3 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-20150266892-A1 AMPK Modulators PRKAG1, PRKAG2, PRKAG3 SIRT2 164/4885TARBP2 4319/4885HTT 4396/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 SIRT2 164/4885TARBP2 4319/4885HTT 4396/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 SIRT2 164/4885TARBP2 4319/4885HTT 4396/4885

“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.