SCHEMBL5268800

SCHEMBL5268800

CCOC(=O)c1cc(-c2cc[nH]c2)n(-c2ccc(C)nc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.50
CHRNA7 P36544 2/20 0.48
FAAH O00519 7/20 0.42
MGLL Q99685 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BCL2 P10415 2/20 0.40
MDM2 Q00987 2/20 0.40
MCL1 Q07820 2/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 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
SCHEMBL5267673 0.89 CA9 (0.48) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5269221 0.85 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1BCL2MDM2
SCHEMBL5268962 0.81 CA9 (0.47) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5265828 0.81 CA9 (0.51) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5265904 0.81 CA9 (0.48) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5268816 0.81 CA9 (0.45) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5268492 0.80 CA9 (0.48) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5270935 0.80 CA9 (0.51) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL2917819 0.79 CA9 (0.50) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5270404 0.79 CA9 (0.45) CA9CHRNA7FAAHMGLLKMT2A

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 3231/4885CHRNA7 4207/4885FAAH 1657/4885

“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.