SCHEMBL1362392

SCHEMBL1362392

OC(c1ccncc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.88
MAPK1 P28482 2/20 0.51
PGR P06401 3/20 0.50
CYP11B2 P19099 2/20 0.49
SMO Q99835 1/20 0.47

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
SCHEMBL1361781 0.89 NR3C1 (0.90) NR3C1PGR
SCHEMBL1361991 0.84 NR3C1 (0.81) NR3C1MAPK1PGRSMO
SCHEMBL1363186 0.84 NR3C1 (0.81) NR3C1MAPK1PGRSMO
SCHEMBL22806014 0.82 NR3C1 (0.78) NR3C1MAPK1PGRSMO
SCHEMBL27724613 0.80 NR3C1 (0.74) NR3C1PGRSMO
SCHEMBL3853770 0.80 NR3C1 (0.74) NR3C1PGR
SCHEMBL1362717 0.79 NR3C1 (0.69) NR3C1PGR
SCHEMBL1363827 0.79 NR3C1 (0.72) NR3C1PGRSMO
SCHEMBL1362437 0.77 NR3C1 (0.69) NR3C1PGR
SCHEMBL1362432 0.77 NR3C1 (0.69) NR3C1PGRCYP11B2SMO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 EP disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 EP disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 NR3C1 11/4885MAPK1 277/4885PGR 2161/4885

“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.