SCHEMBL3968209

SCHEMBL3968209

[NH]c1ccc(Cn2cncc2-c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.79
CYP11B2 P19099 13/20 0.79
IDO1 P14902 5/20 0.79
HPGDS O60760 1/20 0.62
P2RX7 Q99572 1/20 0.54
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 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
SCHEMBL1501929 0.89 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3823466 0.86 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1949527 0.86 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1948768 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL1951962 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3968212 0.84 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3822956 0.84 CYP11B1 (1.00) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3969042 0.82 CYP11B1 (0.74) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3972715 0.81 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDSP2RX7
SCHEMBL3969041 0.81 CYP11B1 (0.75) CYP11B1CYP11B2IDO1HPGDSP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 CYP11B1 525/4885CYP11B2 982/4885IDO1 3082/4885

“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.