SCHEMBL6605085

SCHEMBL6605085

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.42
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
S1PR4 O95977 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6805954 0.93 MRGPRX4 (0.38) MRGPRX4PPARDPPARAHPGDL3MBTL1
SCHEMBL6602486 0.89 MRGPRX4 (0.52) MRGPRX4
SCHEMBL6602658 0.86 HPGD (0.42) HPGDL3MBTL1S1PR4NPC1MAPT
SCHEMBL6602333 0.86 HPGD (0.38) PPARDPPARAHPGDL3MBTL1S1PR4
SCHEMBL6605960 0.86 MRGPRX4 (0.55) MRGPRX4
SCHEMBL6805998 0.85 HPGD (0.41) HPGDL3MBTL1S1PR4NPC1MAPT
SCHEMBL6602669 0.85 KDM4E (0.45) HPGDL3MBTL1S1PR4NPC1MAPT
SCHEMBL6603655 0.83 HPGD (0.38) PPARDPPARAHPGDL3MBTL1S1PR4
SCHEMBL6607860 0.83 HPGD (0.40) HPGDL3MBTL1S1PR4NPC1MAPT
SCHEMBL6804785 0.82 TP53 (0.38) HPGDL3MBTL1S1PR4MAPTRAB9A

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.