SCHEMBL6606475

SCHEMBL6606475

CCCOc1cc(-c2cccc(C(=O)O)c2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
EIF4EBP1 Q13541 14/20 0.39
TP53 P04637 3/20 0.38
MDM2 Q00987 3/20 0.38
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6602054 0.94 PTPN11 (0.40) PTPN11EIF4EBP1TP53MDM2KMT2A
SCHEMBL6602497 0.92 PLAU (0.40) KMT2ARXFP1
SCHEMBL6803634 0.92 TP53 (0.39) PTPN11TP53MDM2KMT2ARXFP1
SCHEMBL6607900 0.90 RXFP1 (0.38) KMT2ARXFP1
SCHEMBL6603696 0.86 PTPN11 (0.41) PTPN11EIF4EBP1KMT2ARXFP1
SCHEMBL6607170 0.86 PLAU (0.40) KMT2ARXFP1
SCHEMBL6613466 0.85 TP53 (0.43) PTPN11TP53MDM2KMT2ARXFP1
SCHEMBL6803979 0.85 MAPT (0.37) KMT2ARXFP1
SCHEMBL6605028 0.84 PTPN11 (0.39) PTPN11EIF4EBP1KMT2ARXFP1
SCHEMBL6602524 0.83 ADORA1 (0.40) TP53MDM2KMT2ARXFP1

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 PTPN11 3094/4885EIF4EBP1 2524/4885TP53 35/4885

“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.