SCHEMBL4537652

SCHEMBL4537652

Cn1cnc(-c2ccc(F)cc2)c1-c1ccnc(NC(N)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 1.00
MAPK14 Q16539 11/20 0.56
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
KCNH2 Q12809 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
KDM4A O75164 1/20 0.52
KDM5A P29375 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
GSK3B P49841 1/20 0.50
MAPK10 P53779 1/20 0.50

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
SCHEMBL4559774 0.95 NR3C2 (1.00) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4538745 0.78 MAPK14 (0.68) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4536463 0.76 NR3C2 (1.00) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4539819 0.75 MAPK14 (0.68) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4540895 0.74 NR3C2 (0.91) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4542115 0.74 NR3C2 (1.00) NR3C2MAPK14GSK3B
SCHEMBL28878568 0.73 NR3C2 (0.58) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL27335372 0.73 MAPK14 (1.00) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4562037 0.73 MAPK14 (0.68) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL20550771 0.73 NR3C2 (0.57) NR3C2MAPK14MAPK13MAPK12MAPK11

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 1484/4885MAPK13 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.