SCHEMBL5268833

SCHEMBL5268833

CCOC(=O)c1cc(-c2c[nH]cn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.43
JMJD6 Q6NYC1 1/20 0.42
CHRNA7 P36544 2/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
FAAH O00519 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5265923 0.87 RPA1 (0.46) KMT2AMEN1
SCHEMBL5265926 0.86 CA9 (0.43) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL5269234 0.85 JMJD6 (0.44) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL5267673 0.85 CA9 (0.48) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL5266524 0.84 CA9 (0.44) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL2910909 0.84 JMJD6 (0.47) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL2912092 0.84 CA9 (0.48) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL2916960 0.83 CA9 (0.48) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL2918273 0.83 CA9 (0.46) CA9JMJD6CHRNA7MAPTKMT2A
SCHEMBL5268253 0.83 CA9 (0.48) CA9JMJD6CHRNA7MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3231/4885JMJD6 2522/4885CHRNA7 4207/4885

“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.