SCHEMBL2900241

SCHEMBL2900241

CC(C)(C(=O)Nc1cnccn1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.57
▸ GAA P10253 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PGR P06401 3/20 0.52
▸ AR P10275 3/20 0.52
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 2/20 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
SCHEMBL2892057 0.81 NR3C1 (0.57) NR3C1PGRAR
SCHEMBL2897819 0.79 NR3C1 (0.65) NR3C1GAAPGRARNPC1
SCHEMBL2899163 0.76 NR3C1 (0.67) NR3C1PGRARNPC1RAB9A
SCHEMBL4229894 0.76 RAB9A (0.58) GAANPC1RAB9ATP53MAPT
SCHEMBL2901092 0.73 NR3C1 (0.64) NR3C1PGRAR
SCHEMBL2896226 0.73 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL29896002 0.73 GAA (0.57) GAATHRBNPC1RAB9ASMN1; SMN2
SCHEMBL2898767 0.72 NR3C1 (0.63) NR3C1PGRARNPC1RAB9A
SCHEMBL752686 0.72 NR3C1 (0.90) NR3C1PGRAR
SCHEMBL2896337 0.71 NR3C1 (0.62) NR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA NR3C1 10/4885GAA 3025/4885THRB 218/4885

“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.

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