SCHEMBL6604165

SCHEMBL6604165

CCOc1cc(-c2ccccc2)nn1CCOc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
PRNP P04156 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.42
ADORA1 P30542 2/20 0.40
ADORA2A P29274 2/20 0.40
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6602524 0.91 ADORA1 (0.40) MAPTPRNPRXFP1LMNATDP1
SCHEMBL6602065 0.84 HCRTR1 (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6607900 0.84 RXFP1 (0.38) MAPTPRNPRXFP1LMNATDP1
SCHEMBL6803979 0.83 MAPT (0.37) MAPTPRNPRXFP1LMNATDP1
SCHEMBL6603578 0.82 RXFP1 (0.36) MAPTRXFP1LMNATDP1ALDH1A1
SCHEMBL6618274 0.82 HTR1B (0.42) MAPTLMNATDP1ALDH1A1MEN1
SCHEMBL6804874 0.82 L3MBTL1 (0.40) MAPTLMNATDP1ALDH1A1MEN1
SCHEMBL6602616 0.82 PTGES (0.35) MAPTRXFP1LMNATDP1ALDH1A1
SCHEMBL6602671 0.82 RXFP1 (0.39) MAPTPRNPRXFP1LMNATDP1
SCHEMBL6607058 0.81 ADORA1 (0.41) MAPTLMNAALDH1A1MEN1KMT2A

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 MAPT 3013/4885PRNP 3679/4885RXFP1 3332/4885

“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.