SCHEMBL2910909

SCHEMBL2910909

CCOC(=O)c1cc(-c2cc(C)ccn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 3/20 0.47
CA9 Q16790 3/20 0.46
CHRNA7 P36544 2/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
FAAH O00519 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
SCHEMBL2920727 0.92 JMJD6 (0.46) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL5517627 0.90 JMJD6 (0.44) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL5526493 0.90 JMJD6 (0.51) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL5519492 0.89 JMJD6 (0.50) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL2918833 0.89 JMJD6 (0.44) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL2916960 0.89 CA9 (0.48) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL2914548 0.89 KMT2A (0.46) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL5268492 0.89 CA9 (0.48) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL2912092 0.88 CA9 (0.48) JMJD6CA9CHRNA7KMT2AALDH1A1
SCHEMBL2920424 0.87 RPA1 (0.46) KMT2AALDH1A1MEN1GAA

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 6 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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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 (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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 JMJD6 4093/4885CA9 2908/4885CHRNA7 4696/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 JMJD6 664/4885CA9 3499/4885CHRNA7 4667/4885

“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.