SCHEMBL6602247

SCHEMBL6602247

CCOc1c(Br)c(-c2cccc(C(=O)OC)c2)nn1CCOc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 20/20 0.53

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
SCHEMBL6614651 0.92 MRGPRX4 (0.50) MRGPRX4
SCHEMBL6805329 0.91 MRGPRX4 (0.54) MRGPRX4
SCHEMBL6602889 0.86 MRGPRX4 (0.41) MRGPRX4
SCHEMBL6605960 0.85 MRGPRX4 (0.55) MRGPRX4
SCHEMBL6602423 0.83 MRGPRX4 (0.51) MRGPRX4
SCHEMBL6628855 0.82 KDM4E (0.42)
SCHEMBL6601562 0.79 PLAU (0.40)
SCHEMBL6804198 0.78 MAPT (0.40)
SCHEMBL6603009 0.77 MRGPRX4 (0.40) MRGPRX4
SCHEMBL6602486 0.76 MRGPRX4 (0.52) MRGPRX4

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 MRGPRX4 2245/4885

“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.