SCHEMBL5535371

SCHEMBL5535371

COc1ccc(-n2nc(C(=O)O)cc2-c2nccnc2NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.39
ABCG2 Q9UNQ0 2/20 0.35
MARS1 P56192 1/20 0.34
MDM2 Q00987 4/20 0.34
MCL1 Q07820 4/20 0.34
BCL2 P10415 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PPP1CA P62136 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTK2B Q14289 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5267961 0.82 RPA1 (0.39) RPA1ABCG2MARS1MDM2MCL1
SCHEMBL5267396 0.82 RPA1 (0.44) RPA1MARS1MDM2MCL1BCL2
SCHEMBL5150480 0.78 RPA1 (0.51) RPA1MDM2MCL1BCL2
SCHEMBL12020370 0.76 MDM2 (0.48) RPA1MARS1MDM2MCL1BCL2
SCHEMBL2918882 0.74 RPA1 (0.46) RPA1MARS1MDM2MCL1BCL2
SCHEMBL2910437 0.74 RPA1 (0.70) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL2918250 0.72 RPA1 (0.52) RPA1MDM2MCL1BCL2PPP1CA
SCHEMBL2920424 0.72 RPA1 (0.46) RPA1MARS1MDM2MCL1BCL2
SCHEMBL2919001 0.72 SMN1; SMN2 (0.63) RPA1MARS1MDM2MCL1BCL2
SCHEMBL5268814 0.72 RPA1 (0.48) RPA1MARS1MDM2MCL1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885ABCG2 2430/4885MARS1 2982/4885

“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.