SCHEMBL2915937

SCHEMBL2915937

COc1cccc(-c2cc(C(=O)O)nn2-c2ccc(OC)nc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.63
NSD2 O96028 1/20 0.52
NSD1 Q96L73 1/20 0.52
NSD3 Q9BZ95 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
HPSE Q9Y251 1/20 0.52
BCL2 P10415 3/20 0.50
MDM2 Q00987 3/20 0.50
MCL1 Q07820 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS2 P35354 2/20 0.48
CCKAR P32238 1/20 0.48
MARS1 P56192 1/20 0.48
SLC16A3 O15427 1/20 0.47
SLC16A1 P53985 1/20 0.47
FAAH O00519 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
SCHEMBL2910437 0.90 RPA1 (0.70) RPA1BCL2MDM2MCL1MEN1
SCHEMBL2919104 0.89 RPA1 (0.63) RPA1BCL2MDM2MCL1MEN1
SCHEMBL2910507 0.88 KMT2A (0.56) RPA1BCL2MDM2MCL1MEN1
SCHEMBL2911521 0.88 RPA1 (0.70) RPA1BCL2MDM2MCL1MARS1
SCHEMBL2918178 0.87 FAAH (0.58) RPA1PTGS2CCKARFAAH
SCHEMBL5522344 0.86 RPA1 (0.54) RPA1NSD2NSD1NSD3LPAR5
SCHEMBL2921396 0.84 CCKAR (0.59) RPA1PTGS2CCKARFAAH
SCHEMBL2919001 0.83 SMN1; SMN2 (0.63) RPA1BCL2MDM2MCL1MEN1
SCHEMBL5269886 0.83 RPA1 (0.54) RPA1BCL2MDM2MCL1MEN1
SCHEMBL2909942 0.83 RPA1 (0.51) RPA1NSD2NSD1NSD3LPAR5

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 4200/4885NSD2 2750/4885NSD1 3687/4885

“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.