SCHEMBL6602889

SCHEMBL6602889

CCOc1c(Br)c(-c2ccccc2)nn1CCOc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
S1PR4 O95977 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
SCHEMBL6601844 0.89 MRGPRX4 (0.41) MRGPRX4PPARDPPARAHPGDSMN1; SMN2
SCHEMBL6601379 0.89 MRGPRX4 (0.41) MRGPRX4PPARDPPARAHPGDSMN1; SMN2
SCHEMBL6614651 0.89 MRGPRX4 (0.50) MRGPRX4PPARDPPARA
SCHEMBL6602247 0.86 MRGPRX4 (0.53) MRGPRX4
SCHEMBL6603266 0.83 PPARD (0.39) MRGPRX4PPARDPPARAHPGD
SCHEMBL6603662 0.83 ICMT (0.41) MRGPRX4HPGDL3MBTL1S1PR4
SCHEMBL6605085 0.80 MRGPRX4 (0.42) MRGPRX4PPARDPPARAHPGDSMN1; SMN2
SCHEMBL6606018 0.79 KDM4E (0.43) HPGDSMN1; SMN2L3MBTL1S1PR4
SCHEMBL6603009 0.79 MRGPRX4 (0.40) MRGPRX4PPARDPPARAHPGDSMN1; SMN2
SCHEMBL6602423 0.79 MRGPRX4 (0.51) MRGPRX4PPARDPPARA

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 2245/4885PPARD 16/4885PPARA 242/4885

“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.