SCHEMBL3971693

SCHEMBL3971693

COc1cc(C)c2cccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.49
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TLR8 Q9NR97 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL14659225 0.82 SYK (0.49) SYKKDM4EMAPTRAB9AMEN1
SCHEMBL27980378 0.82 SYK (0.64) SYKLMNAKDM4EMAPTMEN1
SCHEMBL29933480 0.82 SYK (0.49) SYKKDM4EMAPTRAB9AMEN1
SCHEMBL3971691 0.81 SYK (0.48) SYKKDM4EMAPTRAB9AMEN1
SCHEMBL3968718 0.79 SYK (0.47) SYKKDM4ERAB9AMEN1KMT2A
SCHEMBL3968716 0.78 SYK (0.46) SYKRAB9APDGFRBPDGFRAHTR1A
SCHEMBL3968224 0.78 SYK (0.51) SYKKDM4EMAPTRAB9AMEN1
SCHEMBL20554450 0.78 SYK (0.49) SYKRAB9APDGFRBPDGFRAHTR1A
SCHEMBL28882607 0.78 SYK (0.53) SYKL3MBTL1RAB9APDGFRBPDGFRA
SCHEMBL7256861 0.78 SYK (0.46) SYKKDM4EMAPTRAB9AMEN1

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 SYK 2476/4885LMNA 435/4885L3MBTL1 2221/4885

“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.