SCHEMBL6618274

SCHEMBL6618274

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
ADORA1 P30542 2/20 0.37
ADORA2A P29274 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GALR3 O60755 1/20 0.36
GAA P10253 1/20 0.36
NPY1R P25929 1/20 0.36
STAT3 P40763 1/20 0.36
NPY2R P49146 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL6804874 0.91 L3MBTL1 (0.40) MAPTL3MBTL1TDP1HPGDADORA1
SCHEMBL6616088 0.90 KDM4E (0.45) MAPTL3MBTL1TDP1HPGDADORA1
SCHEMBL6600508 0.89 NSD2 (0.40) MAPTL3MBTL1ADORA1ADORA2AALDH1A1
SCHEMBL6602669 0.89 KDM4E (0.45) MAPTL3MBTL1TDP1HPGDALDH1A1
SCHEMBL6606028 0.89 MGAM (0.43) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL6606680 0.87 MAPT (0.37) MAPTL3MBTL1HPGDADORA1ADORA2A
SCHEMBL6604695 0.86 TP53 (0.47) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL6606370 0.86 SCN9A (0.38) L3MBTL1HPGDADORA1ADORA2AALDH1A1
SCHEMBL6602524 0.86 ADORA1 (0.40) MAPTTDP1ADORA1ADORA2AALDH1A1
SCHEMBL6607058 0.84 ADORA1 (0.41) MAPTADORA1ADORA2AALDH1A1MEN1

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 HTR1B 2124/4885PTGS1 1232/4885PTGS2 1481/4885

“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.