SCHEMBL2920600

SCHEMBL2920600

COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(Cl)cc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 8/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
PPP1CA P62136 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ATM Q13315 1/20 0.62
MARS1 P56192 2/20 0.60
MALT1 Q9UDY8 3/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMPD1 P17405 1/20 0.52

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
SCHEMBL2911521 0.90 RPA1 (0.70) RPA1SMN1; SMN2PPP1CAL3MBTL1MARS1
SCHEMBL2919001 0.90 SMN1; SMN2 (0.63) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2910437 0.90 RPA1 (0.70) RPA1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL2916975 0.89 KMT2A (0.62) RPA1SMN1; SMN2PPP1CAMEN1KMT2A
SCHEMBL5269886 0.87 RPA1 (0.54) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL5524665 0.87 RPA1 (0.54) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL2916511 0.87 RPA1 (0.54) RPA1SMN1; SMN2PPP1CAMARS1
SCHEMBL2916480 0.86 CHRNA7 (0.64) RPA1SMN1; SMN2PPP1CAMALT1NFKB1
SCHEMBL2915972 0.86 RPA1 (0.53) RPA1SMN1; SMN2PPP1CAMEN1KMT2A
SCHEMBL5269302 0.85 RPA1 (0.52) RPA1SMN1; SMN2PPP1CAL3MBTL1MEN1

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 4200/4885SMN1; SMN2 3778/4885PPP1CA 3054/4885

“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.