SCHEMBL4538745

SCHEMBL4538745

Cn1cnc(-c2ccc(F)cc2)c1-c1ccnc(N)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.68
NR3C2 P08235 2/20 0.63
MAPK13 O15264 6/20 0.60
MAPK12 P53778 6/20 0.60
MAPK11 Q15759 6/20 0.60
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
KDM4A O75164 1/20 0.51
KDM5A P29375 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
PHF8 Q9UPP1 2/20 0.51
NSD3 Q9BZ95 1/20 0.48
TNIK Q9UKE5 1/20 0.47
KDM2B Q8NHM5 1/20 0.46
TGFBR1 P36897 1/20 0.45

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
SCHEMBL4562037 0.94 MAPK14 (0.68) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL4539819 0.83 MAPK14 (0.68) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL27335372 0.81 MAPK14 (1.00) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL4537652 0.78 NR3C2 (1.00) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL4561720 0.78 MAPK14 (0.68) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL20550774 0.77 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL29676815 0.76 MAPK14 (0.61) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL18041561 0.76 MAPK14 (0.61) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL2849517 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PDE4A
SCHEMBL23410259 0.75 MAPK14 (0.58) 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.