SCHEMBL6805835

SCHEMBL6805835

CCOc1cc(-c2ccc(C(=O)O)cc2)nn1CCOc1ccc(-c2cccnc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MDM2 Q00987 2/20 0.43
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
PDE4B Q07343 2/20 0.42
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
ACLY P53396 1/20 0.39
EIF4EBP1 Q13541 3/20 0.38
KMO O15229 1/20 0.38
MARS1 P56192 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL6601481 0.92 CYP11B1 (0.42) MKNK1MKNK2
SCHEMBL6606254 0.86 TP53 (0.47) TP53MDM2EIF4EBP1
SCHEMBL6606542 0.86 TP53 (0.47) TP53MDM2PDE4BGCGRGIPR
SCHEMBL6803407 0.86 TP53 (0.44) TP53MDM2GCGRGIPRKMO
SCHEMBL6804559 0.85 TP53 (0.43) TP53MDM2PDE4BGCGRGIPR
SCHEMBL6606062 0.85 TP53 (0.46) TP53MDM2GCGRGIPR
SCHEMBL6803960 0.84 TP53 (0.43) TP53MDM2PDE4BGCGRGIPR
SCHEMBL6809196 0.84 TP53 (0.46) TP53MDM2PDE4BGCGRGIPR
SCHEMBL6603996 0.84 TP53 (0.44) TP53MDM2GCGRGIPRKMO
SCHEMBL6602139 0.84 TP53 (0.47) TP53MDM2GCGRGIPRKMO

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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 TP53 35/4885MDM2 1509/4885MKNK1 495/4885

“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.