SCHEMBL5267673

SCHEMBL5267673

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.48
CHRNA7 P36544 2/20 0.46
FAAH O00519 7/20 0.42
JMJD6 Q6NYC1 1/20 0.42
MGLL Q99685 3/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL5268800 0.89 CA9 (0.50) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL5268253 0.88 CA9 (0.48) CA9CHRNA7FAAHJMJD6MGLL
SCHEMBL2918939 0.87 CA9 (0.63) CA9CHRNA7FAAHMGLLKMT2A
SCHEMBL2915848 0.87 CA9 (0.63) CA9CHRNA7FAAHJMJD6MGLL
SCHEMBL5265892 0.86 RPA1 (0.52) KMT2ABCL2MDM2MCL1
SCHEMBL2921056 0.86 CA9 (0.54) CA9CHRNA7FAAHTP53BCL2
SCHEMBL2917961 0.86 CA9 (0.54) CA9CHRNA7FAAHJMJD6BCL2
SCHEMBL14504359 0.86 CA9 (0.54) CA9CHRNA7FAAHJMJD6MGLL
SCHEMBL5268833 0.85 CA9 (0.43) CA9CHRNA7FAAHJMJD6KMT2A
SCHEMBL5267834 0.85 CA9 (0.47) CA9CHRNA7FAAHJMJD6MGLL

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 3 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
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 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 (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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3231/4885CHRNA7 4207/4885FAAH 1657/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3499/4885CHRNA7 4667/4885FAAH 63/4885

“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.