SCHEMBL3462850

SCHEMBL3462850

Brc1ccncc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.56
CDK8 P49336 5/20 0.56
CYP17A1 P05093 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
BRAF P15056 1/20 0.50
MAP3K11 Q16584 3/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
NPC1 O15118 1/20 0.46
CYP2A6 P11509 1/20 0.46
AHR P35869 1/20 0.46
NR4A2 P43354 1/20 0.46
FYN P06241 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
PRKCQ Q04759 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL26463099 0.82 CCNC (0.56) CCNCCDK8CYP17A1CYP11B1CYP11B2
SCHEMBL30494427 0.82 CCNC (0.56) CCNCCDK8CYP17A1CYP11B1CYP11B2
SCHEMBL24222501 0.76 PIK3CD (0.61) CCNCCDK8CYP17A1CYP11B1CYP11B2
SCHEMBL29940583 0.76 CCNC (0.60) CCNCCDK8CYP17A1CYP11B1CYP11B2
SCHEMBL3956542 0.75 CYP17A1 (0.76) CCNCCDK8CYP17A1CYP11B1CYP11B2
SCHEMBL6657347 0.73 NPC1 (0.64) CCNCCDK8CYP17A1CYP11B1CYP11B2
SCHEMBL28644510 0.72 CCNC (1.00) CCNCCDK8
SCHEMBL28926725 0.72 CCNC (1.00) CCNCCDK8
SCHEMBL31280998 0.72 CCNC (1.00) CCNCCDK8
SCHEMBL3348627 0.72 PIP4K2A (0.54) CYP17A1CYP11B1CYP11B2MAP3K11NPC1

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 8 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-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-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
CN-101959404-A Adenosine monophosphate activated protein kinase modulators MERCURY THERAPEUTICS INC 2011-01-26 CN 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
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 CCNC 3750/4885CDK8 1758/4885CYP17A1 1151/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 CCNC 3750/4885CDK8 1758/4885CYP17A1 1151/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 CCNC 3750/4885CDK8 1758/4885CYP17A1 1151/4885

“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.