SCHEMBL2874685

SCHEMBL2874685

O=[N+]([O-])c1ccc(OCc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.69
CYP19A1 P11511 14/20 0.67
CYP11B1 P15538 5/20 0.67
CYP11B2 P19099 5/20 0.67
MEN1 O00255 4/20 0.64
MAPT P10636 4/20 0.64
KMT2A Q03164 4/20 0.64
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPIA P62937 1/20 0.48

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
SCHEMBL1241610 0.86 CYP19A1 (0.55) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL31418722 0.85 MEN1 (0.70) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL371728 0.85 MEN1 (0.70) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL7825518 0.82 MEN1 (0.67) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL6572912 0.82 CYP19A1 (0.62) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8737543 0.82 MEN1 (0.56) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8737109 0.82 MEN1 (0.56) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL214776 0.82 MEN1 (0.62) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL1753562 0.82 PTGDR2 (1.00) PTGDR2CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL9812697 0.82 PTGDR2 (0.67) PTGDR2CYP19A1CYP11B1CYP11B2MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
CN-101415674-A Pyrrolidine derivatives as ERK inhibitors SCHERING CORP (US) 2009-04-22 CN disclosed
EP-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO 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-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PTGDR2 1548/4885CYP19A1 1395/4885CYP11B1 1971/4885

“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.