SCHEMBL2919367

SCHEMBL2919367

COc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)nn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.62
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MDM2 Q00987 5/20 0.49
MCL1 Q07820 5/20 0.49
BCL2 P10415 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MARS1 P56192 2/20 0.47
PPP1CA P62136 1/20 0.47

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
SCHEMBL2912938 0.87 RPA1 (0.48) RPA1ALDH1A1MDM2MCL1BCL2
SCHEMBL5267517 0.85 RPA1 (0.46) RPA1ALDH1A1MAPTHTTMEN1
SCHEMBL5267609 0.84 RPA1 (0.45) RPA1ALDH1A1MAPTHTTMEN1
SCHEMBL2914146 0.84 RPA1 (0.45) RPA1ALDH1A1MAPTHTTMDM2
SCHEMBL13637499 0.84 MALT1 (0.49) RPA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5268373 0.83 RPA1 (0.45) RPA1ALDH1A1MDM2MCL1BCL2
SCHEMBL5266025 0.83 RPA1 (0.44) RPA1ALDH1A1MAPTHTTMDM2
SCHEMBL2915944 0.83 MGLL (0.60) RPA1ALDH1A1
SCHEMBL2918303 0.82 MGLL (0.59) MAPTHTTMEN1KMT2A
SCHEMBL5268755 0.82 RPA1 (0.42) RPA1ALDH1A1MAPTHTTMEN1

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 RPA1 4200/4885ALDH1A1 139/4885MAPT 3761/4885

“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.