SCHEMBL2917043

SCHEMBL2917043

CCOC(=O)c1cc(-c2ccccc2F)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
CA9 Q16790 2/20 0.47
CHRNA7 P36544 2/20 0.46
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
PTGS2 P35354 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2917636 0.90 CA9 (0.48) TP53CA9CHRNA7KMT2ATDP1
SCHEMBL2920972 0.89 KMT2A (0.52) TP53CA9CHRNA7KMT2ATDP1
SCHEMBL2920703 0.87 KMT2A (0.52) KMT2APTGS2MEN1
SCHEMBL2918939 0.86 CA9 (0.63) TP53CA9CHRNA7KMT2ATDP1
SCHEMBL2913443 0.84 CHRNA7 (0.64) CA9CHRNA7KMT2APTGS2MEN1
SCHEMBL2916095 0.83 CHRNA7 (0.52) CA9CHRNA7PTGS2THRB
SCHEMBL2916960 0.83 CA9 (0.48) TP53CA9CHRNA7KMT2ATDP1
SCHEMBL5907376 0.83 CA9 (0.61) TP53CA9CHRNA7KMT2ATDP1
SCHEMBL2915848 0.82 CA9 (0.63) CA9CHRNA7MAPTPTGS2
SCHEMBL2919548 0.81 CA9 (0.46) TP53CA9CHRNA7KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 TP53 3018/4885CA9 2908/4885CHRNA7 4696/4885

“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.