SCHEMBL2913285

SCHEMBL2913285

COc1ccc(-n2nc(C(=O)N3CCCC(C(=O)O)C3)cc2-c2ccc(F)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.50
MGLL Q99685 1/20 0.44
MALT1 Q9UDY8 2/20 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
SCHEMBL2921273 0.90 MGLL (0.51) KDM1AMGLLMALT1
SCHEMBL2916474 0.90 KDM4E (0.50) KDM1A
SCHEMBL13637346 0.88 KDM1A (0.51) KDM1A
SCHEMBL13637534 0.84 KDM1A (0.51) KDM1AMGLLMALT1
SCHEMBL2921243 0.82 DGAT1 (0.43) KDM1AMGLLMALT1
SCHEMBL2911623 0.82 MGLL (0.56) KDM1AMGLLMALT1
SCHEMBL13212922 0.82 PTGS2 (0.49) KDM1AMGLLMALT1
SCHEMBL2920781 0.82 PTGS2 (0.64) MGLLMALT1
SCHEMBL2916368 0.81 MALT1 (0.55) MGLLMALT1
SCHEMBL2917927 0.81 PTGS2 (0.59) KDM1AMGLL

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 KDM1A 2661/4885MGLL 2165/4885MALT1 4362/4885

“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.