SCHEMBL4538602

SCHEMBL4538602

Nc1cc(-c2ocnc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.66
NR3C2 P08235 1/20 0.62
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
DYRK1A Q13627 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
SCHEMBL6984697 0.85 MAPK14 (0.69) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL1387318 0.82 MAPK14 (0.66) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL4537373 0.82 MAPK14 (0.66) MAPK14NR3C2
SCHEMBL21631838 0.81 MAPK14 (0.83) MAPK14NR3C2
SCHEMBL1387433 0.80 MAPK14 (1.00) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL4470256 0.80 MAPK14 (1.00) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL21001790 0.77 DYRK1A (0.59) MAPK14MAPK13MAPK12MAPK11PDE4A
SCHEMBL29432660 0.77 DYRK1A (0.59) MAPK14MAPK13MAPK12MAPK11PDE4A
SCHEMBL4542115 0.77 NR3C2 (1.00) MAPK14NR3C2
SCHEMBL1387240 0.75 MAPK14 (0.56) MAPK14NR3C2MAPK13MAPK12MAPK11

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-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
EP-2638012-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-09-18 EP disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 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 (1 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-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, AVPR2 MAPK14 1484/4885NR3C2 1/4885MAPK13 1013/4885

“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.