SCHEMBL2917841

SCHEMBL2917841

COc1ccc(-n2nc(C(=O)N3CC(N(C)C)C3)cc2-c2ccccn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
NTRK1 P04629 11/20 0.42
KDM1A O60341 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MGLL Q99685 2/20 0.38
PTGS2 P35354 1/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2920770 0.93 MALT1 (0.54) MALT1NTRK1KDM1AMGLLSCD5
SCHEMBL2914144 0.88 MALT1 (0.53) MALT1KDM1AMGLLPTGS2
SCHEMBL2916328 0.88 BRD4 (0.41) NTRK1HCRTR1HCRTR2MGLLSCD
SCHEMBL2919121 0.88 HCRTR1 (0.40) NTRK1HCRTR1HCRTR2MGLLSCD
SCHEMBL2921813 0.86 NTRK1 (0.51) MALT1NTRK1KDM1AMGLLSCD5
SCHEMBL13637539 0.85 MALT1 (0.45) MALT1MGLLPTGS2
SCHEMBL5270015 0.85 NTRK1 (0.43) MALT1NTRK1KDM1AMGLLPTGS2
SCHEMBL5271833 0.84 NTRK1 (0.48) NTRK1KDM1A
SCHEMBL13627408 0.84 NTRK1 (0.35) MALT1NTRK1HCRTR1HCRTR2MGLL
SCHEMBL2919136 0.84 NTRK1 (0.45) MALT1NTRK1MGLLPTGS2

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 MALT1 4362/4885NTRK1 4844/4885KDM1A 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.