SCHEMBL3971691

SCHEMBL3971691

[CH2]c1cc(OC)cc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.48
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29933480 0.81 SYK (0.49) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL27980378 0.81 SYK (0.64) SYKPDGFRBPDGFRAKDM4EMAPT
SCHEMBL14659225 0.81 SYK (0.49) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL3971693 0.81 SYK (0.49) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL7256861 0.80 SYK (0.46) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL3968224 0.80 SYK (0.51) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL3968718 0.78 SYK (0.47) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL27733447 0.77 HTR1A (0.58) PDGFRBPDGFRAHTR1AADRA1DADRA1A
SCHEMBL28882607 0.77 SYK (0.53) SYKPDGFRBPDGFRAHTR1AADRA1D
SCHEMBL3968716 0.77 SYK (0.46) SYKPDGFRBPDGFRAHTR1AADRA1D

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 2476/4885PDGFRB 438/4885PDGFRA 581/4885

“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.