SCHEMBL5010614

SCHEMBL5010614

COc1ccc(CN)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.51
PDCD1LG2 Q9BQ51 4/20 0.51
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDCD1 Q15116 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.39
PDE10A Q9Y233 3/20 0.37
NNMT P40261 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR1 P34998 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL9908276 0.82 POLB (0.52) CD274PDCD1LG2POLBTDP1PDE10A
SCHEMBL10369937 0.81 POLB (0.45) CD274PDCD1LG2POLBTDP1PDCD1
SCHEMBL2715698 0.80 CD274 (0.43) CD274PDCD1LG2POLBTDP1PDCD1
SCHEMBL10369005 0.80 CD274 (0.43) CD274PDCD1LG2POLBTDP1PDCD1
SCHEMBL2715306 0.80 CD274 (0.43) CD274PDCD1LG2POLBPDCD1LOXL2
SCHEMBL1848182 0.80 POLB (0.46) CD274PDCD1LG2POLBTDP1PDE10A
SCHEMBL18291529 0.80 POLB (0.46) CD274PDCD1LG2POLBTDP1PDE10A
SCHEMBL1904976 0.80 NNMT (0.49) CD274PDCD1LG2POLBTDP1LOXL2
SCHEMBL6408365 0.80 POLB (0.50) CD274PDCD1LG2POLBTDP1PDCD1
SCHEMBL5010358 0.80 CD274 (0.51) CD274PDCD1LG2PDCD1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2022-12-29 US disclosed
CN-102695417-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC 2012-09-26 CN disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US 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 (2 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-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 CD274 741/4885PDCD1LG2 864/4885POLB 2684/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL CD274 4855/4885PDCD1LG2 4806/4885POLB 3038/4885

“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.