SCHEMBL2911599

SCHEMBL2911599

CNC1CN(C(=O)c2cc(-c3ccccc3)n(-c3ccc(OC)nc3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.47
MGLL Q99685 5/20 0.47
KDM1A O60341 8/20 0.46
MALT1 Q9UDY8 1/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2921226 0.89 RPA1 (0.50) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2915301 0.89 RPA1 (0.49) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2918416 0.87 RPA1 (0.47) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2914144 0.87 MALT1 (0.53) RPA1MGLLKDM1AMALT1PTGS2
SCHEMBL2920304 0.87 RPA1 (0.47) RPA1MGLLPTGS2PTGS1EPHX2
SCHEMBL2917950 0.84 MGLL (0.51) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2916368 0.84 MALT1 (0.55) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2915792 0.84 MGLL (0.53) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2917284 0.83 MGLL (0.63) RPA1MGLLMALT1PTGS2PTGS1
SCHEMBL2915589 0.83 MGLL (0.63) RPA1MGLLPTGS2

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 7 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
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 RPA1 4200/4885MGLL 2165/4885KDM1A 2661/4885

“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.