SCHEMBL6612367

SCHEMBL6612367

CCOc1cc(-c2ccc(C(=O)O)cc2)nn1CCOc1ccc(-c2ccsc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
MDM2 Q00987 3/20 0.42
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
TRPM4 Q8TD43 1/20 0.37
CHEK2 O96017 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMO O15229 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN11 Q06124 1/20 0.36
PDE4B Q07343 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
SCHEMBL6601388 0.90 CREBBP (0.38) TP53MDM2GCGRGIPRTRPM4
SCHEMBL6803407 0.87 TP53 (0.44) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6804559 0.86 TP53 (0.43) TP53MDM2GCGRGIPRMAPT
SCHEMBL6606062 0.86 TP53 (0.46) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6604808 0.85 TP53 (0.43) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6606542 0.85 TP53 (0.47) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6803960 0.85 TP53 (0.43) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6603996 0.85 TP53 (0.44) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6602139 0.85 TP53 (0.47) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6615534 0.85 TP53 (0.45) TP53MDM2GCGRGIPRALDH1A1

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 3 patents. 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
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 TP53 35/4885MDM2 1509/4885GCGR 2460/4885

“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.