SCHEMBL2917636

SCHEMBL2917636

CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.48
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP3 P05413 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
CHRNA7 P36544 2/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL2920972 0.91 KMT2A (0.52) CA9KMT2AMAPTTDP1POLB
SCHEMBL2917043 0.90 TP53 (0.48) CA9KMT2AMAPTTDP1POLB
SCHEMBL2912492 0.88 KMT2A (0.54) KMT2AFABP3OXTRAVPR1AMEN1
SCHEMBL2918939 0.88 CA9 (0.63) CA9KMT2AMAPTTDP1POLB
SCHEMBL2916960 0.85 CA9 (0.48) CA9KMT2AMAPTTDP1POLB
SCHEMBL2915848 0.83 CA9 (0.63) CA9MAPTCHRNA7
SCHEMBL2918273 0.83 CA9 (0.46) CA9KMT2AMAPTTDP1POLB
SCHEMBL2919398 0.83 CA9 (0.52) CA9CHRNA7
SCHEMBL2919548 0.83 CA9 (0.46) CA9KMT2AMAPTTDP1POLB
SCHEMBL2917961 0.82 CA9 (0.54) CA9CHRNA7

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 CA9 2908/4885KMT2A 4370/4885MAPT 3761/4885

“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.