SCHEMBL6602434

SCHEMBL6602434

CC(C)Oc1cc(-c2ccccc2)nn1CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
GALR3 O60755 1/20 0.34
NPY1R P25929 1/20 0.34
STAT3 P40763 1/20 0.34
NPY2R P49146 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL6797974 0.88 RAB9A (0.41) PPARGPPARAKMT2AMAPTNPC1
SCHEMBL6607212 0.87 MAPT (0.43) PPARGPPARAKMT2AMAPTNPC1
SCHEMBL6601377 0.85 RXFP1 (0.39) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL6602248 0.79 NPC1 (0.51) PPARGKMT2ANPC1RAB9AMEN1
SCHEMBL6603315 0.79 TTK (0.35) PPARGPPARAKMT2AMAPTNPC1
SCHEMBL6603505 0.79 IKBKB (0.41) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL6602662 0.74 PPARG (0.42) PPARGPPARAKMT2AMAPTNPC1
SCHEMBL6602671 0.73 RXFP1 (0.39) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL6803979 0.73 MAPT (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6602524 0.73 ADORA1 (0.40) KMT2AMAPTNPC1RAB9AMEN1

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 PPARG 161/4885PPARA 242/4885KMT2A 2911/4885

“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.