SCHEMBL1362873

SCHEMBL1362873

O=C(c1ccccc1)c1cnc2c(cnn2-c2ccccc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.55
NR3C1 P04150 1/20 0.50
SPR P35270 2/20 0.48
MAPT P10636 6/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
TP53 P04637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PI4KA P42356 1/20 0.46
KMT2A Q03164 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46

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
SCHEMBL7161525 0.87 NR3C1 (0.53) NR3C1MAPTRAB9AALDH1A1TP53
SCHEMBL1362487 0.85 NR3C1 (0.64) MAPK14NR3C1SPRMAPTRAB9A
SCHEMBL6290508 0.79 PDE4B (0.62) MAPTRAB9AALDH1A1TP53KDM4E
SCHEMBL7012220 0.75 NR3C1 (0.68) NR3C1MAPTRAB9AALDH1A1TP53
SCHEMBL11819374 0.73 ALDH1A1 (0.45) NR3C1MAPTALDH1A1KDM4EMEN1
SCHEMBL11387302 0.72 MAPT (0.54) NR3C1MAPTRAB9AALDH1A1SRC
SCHEMBL14565693 0.71 ALDH1A1 (0.50) MAPK14MAPTRAB9AALDH1A1MEN1
SCHEMBL13662120 0.71 MAPK14 (1.00) MAPK14RAB9AALDH1A1NPC1HPGD
SCHEMBL7915015 0.70 MAPK14 (0.66) MAPK14MAPTALDH1A1MEN1CYP2C19
SCHEMBL6282033 0.69 ALDH1A1 (0.67) MAPTRAB9AALDH1A1TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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 MAPK14 713/4885NR3C1 11/4885SPR 2790/4885

“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.