SCHEMBL4540895

SCHEMBL4540895

NC(=O)Nc1cc(-c2[nH]cnc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.91
MAPK14 Q16539 8/20 0.67
GSK3B P49841 4/20 0.67
MAPK10 P53779 1/20 0.57
MAPK13 O15264 1/20 0.54
RAF1 P04049 1/20 0.54
MAPK9 P45984 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK1 P28482 1/20 0.52

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
SCHEMBL29974808 0.82 NR3C2 (0.64) NR3C2MAPK14GSK3BMAPK10MAPK13
SCHEMBL4542115 0.76 NR3C2 (1.00) NR3C2MAPK14GSK3BMAPK1
SCHEMBL30500161 0.76 NR3C2 (0.58) NR3C2MAPK14GSK3BMAPK13MAPK12
SCHEMBL4537652 0.74 NR3C2 (1.00) NR3C2MAPK14GSK3BMAPK10MAPK13
SCHEMBL4543136 0.74 NR3C2 (1.00) NR3C2MAPK14GSK3BMAPK1
SCHEMBL4536537 0.74 MAPK14 (0.66) NR3C2MAPK14GSK3BMAPK10MAPK13
SCHEMBL27522748 0.74 MAPK14 (0.66) NR3C2MAPK14GSK3BMAPK10MAPK13
SCHEMBL4467134 0.73 MAPK14 (0.63) NR3C2MAPK14GSK3B
SCHEMBL10992179 0.72 MAPK14 (0.83) NR3C2MAPK14GSK3BMAPK10MAPK13
SCHEMBL4559774 0.72 NR3C2 (1.00) NR3C2MAPK14GSK3BMAPK13MAPK12

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-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
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 NR3C2 1/4885MAPK14 1484/4885GSK3B 3061/4885

“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.