SCHEMBL2918291

SCHEMBL2918291

COc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2cc(C(=O)O)ccn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
MALT1 Q9UDY8 1/20 0.43
JMJD6 Q6NYC1 1/20 0.41
KDM4C Q9H3R0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
CFTR P13569 1/20 0.40
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MGLL Q99685 1/20 0.38
CHRNA7 P36544 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37

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
SCHEMBL2916659 0.92 HPGD (0.45) HPGDMALT1CFTRMGLLCHRNA7
SCHEMBL2915598 0.86 MALT1 (0.42) HPGDMALT1KDM4EMGLLCHRNA7
SCHEMBL13637539 0.86 MALT1 (0.45) HPGDMALT1CFTRMGLLCHRNA7
SCHEMBL2915269 0.86 CHRNA7 (0.42) HPGDMALT1KDM4EMGLLCHRNA7
SCHEMBL2914784 0.86 KDM1A (0.43) HPGDMALT1
SCHEMBL2916368 0.83 MALT1 (0.55) MALT1MGLLCHRNA7ALDH1A1PTGS2
SCHEMBL2916599 0.82 MGLL (0.43) HPGDMALT1CFTRMGLLPIK3CD
SCHEMBL5526493 0.81 JMJD6 (0.51) JMJD6KDM4CKDM4EKDM6BKDM5C
SCHEMBL2911608 0.81 MGLL (0.46) HPGDMALT1KDM4ECFTRMGLL
SCHEMBL2920392 0.81 MGLL (0.42) MALT1CFTRMGLLPIK3CDPIK3CA

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 HPGD 18/4885MALT1 4362/4885JMJD6 4093/4885

“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.