SCHEMBL1136768

SCHEMBL1136768

Nc1nc(Cc2ccc(-c3ccncc3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.51
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 5/20 0.51
CYP19A1 P11511 3/20 0.51
CYP3A4 P08684 2/20 0.51
LTA4H P09960 9/20 0.51
NOS1 P29475 1/20 0.46
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL27603499 0.91 NOS1 (0.50) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL12205534 0.85 CYP2A6 (0.53) CYP19A1CYP3A4LTA4HNOS1RAB9A
SCHEMBL5149718 0.82 NOS1 (0.51) CYP3A4LTA4HNOS1RAB9ANPC1
SCHEMBL13611430 0.80 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL30513256 0.79 RAB9A (0.58) LTA4HNOS1RAB9ANPC1ALDH1A1
SCHEMBL623682 0.79 NPC1 (0.59) LTA4HNOS1RAB9ANPC1ALDH1A1
SCHEMBL5041901 0.79 RAB9A (0.51) LTA4HNOS1RAB9ANPC1ALDH1A1
SCHEMBL1915556 0.79 NOS1 (0.71) CYP3A4LTA4HNOS1RAB9AKDM4E
SCHEMBL25129878 0.78 NOS1 (0.42) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL13604293 0.78 CYP17A1 (0.44) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-1708701-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-7253283-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7253283-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed
EP-1708699-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-11 EP disclosed
WO-2006076632-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFκB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed
US-20050182110-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US disclosed
WO-2005072729-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 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 (5 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA CYP17A1 722/4885CYP11B1 58/4885CYP11B2 103/4885
US-20050182110-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof NR3C1, NFRKB, NCOR1 CYP17A1 181/4885CYP11B1 86/4885CYP11B2 112/4885
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 CYP17A1 266/4885CYP11B1 83/4885CYP11B2 168/4885
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 CYP17A1 171/4885CYP11B1 166/4885CYP11B2 265/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 CYP17A1 155/4885CYP11B1 164/4885CYP11B2 253/4885

“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.