SCHEMBL1361914

SCHEMBL1361914

COC(=O)c1cc2cnn(-c3ccc(F)cc3)c2cc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
SMO Q99835 7/20 0.48
NR3C1 P04150 8/20 0.48
PGR P06401 1/20 0.48
CCR1 P32246 1/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 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
SCHEMBL15826159 0.86 NR3C1 (0.51) SMONR3C1PGRMAPK1
SCHEMBL1361907 0.85 CYP11B1 (0.51) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL20167005 0.82 CYP11B1 (0.59) CYP11B1CYP11B2SMONR3C1CCR1
SCHEMBL1363389 0.82 CYP11B1 (0.69) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL24924163 0.80 NR3C1 (0.60) CYP11B2SMONR3C1PGRTSHR
SCHEMBL1363835 0.78 NR3C1 (0.57) SMONR3C1PGRTSHR
SCHEMBL1361036 0.77 SMO (0.50) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL12141953 0.77 SMO (0.48) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL1135667 0.75 CCR1 (0.66) CYP11B1CYP11B2NR3C1CCR1
SCHEMBL19120605 0.75 MEN1 (0.48) CYP11B1CYP11B2CCR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935284-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-10-28 EP disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
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-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
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
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 (2 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 CYP11B1 41/4885CYP11B2 47/4885SMO 950/4885
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 CYP11B1 75/4885CYP11B2 163/4885SMO 3308/4885

“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.