SCHEMBL2914856

SCHEMBL2914856

CCc1ccc(-c2cc(C(=O)N3CCN(C)CC3)nn2-c2ccc(OC)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.54
KDM1A O60341 2/20 0.47
KCNH2 Q12809 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
PTGS2 P35354 4/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CFTR P13569 1/20 0.44

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
SCHEMBL2911969 0.90 MGLL (0.57) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2917069 0.90 MGLL (0.57) MGLLKDM1AKCNH2MALT1PTGS2
SCHEMBL13627396 0.90 MGLL (0.68) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2920388 0.89 MALT1 (0.61) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL13637494 0.89 MGLL (0.56) MGLLKCNH2MALT1PTGS2MEN1
SCHEMBL2911623 0.89 MGLL (0.56) MGLLKDM1AKCNH2MALT1PTGS2
SCHEMBL2917284 0.89 MGLL (0.63) MGLLKCNH2MALT1PTGS2
SCHEMBL2910679 0.86 MGLL (0.53) MGLLKDM1AKCNH2MALT1PTGS2
SCHEMBL2917646 0.86 MGLL (0.58) MGLLPTGS2
SCHEMBL5265747 0.85 MGLL (0.51) MGLLKCNH2MALT1PTGS2MEN1

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-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 MGLL 2165/4885KDM1A 2661/4885KCNH2 2509/4885

“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.