SCHEMBL2918042

SCHEMBL2918042

COc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.70
MDM2 Q00987 7/20 0.56
MCL1 Q07820 6/20 0.56
BCL2 P10415 5/20 0.56
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MARS1 P56192 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2919170 0.87 CA9 (0.55) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL2918169 0.86 RPA1 (0.52) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL2919676 0.84 MGLL (0.58) RPA1ALDH1A1KDM4E
SCHEMBL3139245 0.82 RPA1 (1.00) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2919367 0.80 RPA1 (0.62) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL5524791 0.80 RPA1 (0.46) RPA1MDM2MCL1BCL2ALDH1A1
SCHEMBL6164292 0.80 RPA1 (0.54) RPA1ALDH1A1
SCHEMBL2918992 0.79 SCD5 (0.45) RPA1ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL2918324 0.78 RPA1 (0.44) RPA1ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL9056282 0.77 RPA1 (0.90) RPA1MDM2MCL1BCL2MEN1

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 10 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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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 (2 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 4200/4885MDM2 2821/4885MCL1 2587/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885MDM2 4288/4885MCL1 1451/4885

“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.