SCHEMBL2912092

SCHEMBL2912092

CCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.48
CHRNA7 P36544 2/20 0.43
FAAH O00519 3/20 0.42
MGLL Q99685 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
JMJD6 Q6NYC1 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL5270935 0.89 CA9 (0.51) CA9CHRNA7FAAHMGLLMAPT
SCHEMBL5521042 0.88 OXTR (0.42) CA9CHRNA7FAAHMAPTKMT2A
SCHEMBL2910909 0.88 JMJD6 (0.47) CA9CHRNA7FAAHMAPTKMT2A
SCHEMBL5266524 0.88 CA9 (0.44) CA9CHRNA7FAAHMGLLMAPT
SCHEMBL2915848 0.88 CA9 (0.63) CA9CHRNA7FAAHMGLLMAPT
SCHEMBL2912328 0.87 RPA1 (0.46) KMT2AMEN1
SCHEMBL2916960 0.87 CA9 (0.48) CA9CHRNA7FAAHMAPTKMT2A
SCHEMBL5266010 0.86 CA9 (0.45) CA9CHRNA7FAAHMAPTKMT2A
SCHEMBL5267019 0.86 CA9 (0.42) CA9CHRNA7FAAHMGLLMAPT
SCHEMBL2918273 0.85 CA9 (0.46) CA9CHRNA7FAAHMGLLMAPT

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 CA9 2908/4885CHRNA7 4696/4885FAAH 1345/4885
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.