SCHEMBL2909802

SCHEMBL2909802

COc1ccc(-n2nc(C(=O)O)cc2-c2cccc(OC)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 8/20 0.49
MDM2 Q00987 4/20 0.42
MCL1 Q07820 4/20 0.42
BCL2 P10415 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PPP1CA P62136 1/20 0.40
MARS1 P56192 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL2910360 0.91 RPA1 (0.47) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2918250 0.87 RPA1 (0.52) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2918273 0.86 CA9 (0.46) MEN1KMT2A
SCHEMBL2920810 0.85 RPA1 (0.47) RPA1MDM2MCL1BCL2MEN1
SCHEMBL5268814 0.84 RPA1 (0.48) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2914801 0.84 MGLL (0.48)
SCHEMBL2912087 0.84 RPA1 (0.47) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2910437 0.84 RPA1 (0.70) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2921121 0.83 PTGS2 (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL5269924 0.83 RPA1 (0.45) 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 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 4200/4885MDM2 2821/4885MCL1 2587/4885

“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.