SCHEMBL5266512

SCHEMBL5266512

COC(=O)c1cc(-c2ccc(C(=O)O)nc2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
RPA1 P27694 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.39
MDM2 Q00987 2/20 0.38
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
ALDH1A1 P00352 3/20 0.38
FYN P06241 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
DYRK1A Q13627 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
MARS1 P56192 1/20 0.36

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
SCHEMBL5270243 0.88 SMN1; SMN2 (0.40) RPA1SMN1; SMN2PTGS2ALDH1A1FYN
SCHEMBL5269545 0.85 ALDH1A1 (0.37) KDM4EL3MBTL1MAPK1RPA1SMN1; SMN2
SCHEMBL5268373 0.85 RPA1 (0.45) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL5267029 0.81 GSK3B (0.38) SMN1; SMN2PTGS2BCL2FYNDYRK1A
SCHEMBL2919367 0.79 RPA1 (0.62) L3MBTL1RPA1MDM2MCL1BCL2
SCHEMBL5267080 0.79 BCL2 (0.40) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL5522493 0.78 KDM4C (0.51) KDM4EALDH1A1TSHRKDM5AKDM4C
SCHEMBL5269886 0.78 RPA1 (0.54) L3MBTL1RPA1SMN1; SMN2MDM2MCL1
SCHEMBL5269263 0.78 RPA1 (0.40) KDM4EL3MBTL1RPA1SMN1; SMN2MDM2
SCHEMBL5526232 0.77 MARS1 (0.46) KDM4ERPA1SMN1; SMN2PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 KDM4E 3557/4885L3MBTL1 4767/4885MAPK1 107/4885

“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.