SCHEMBL6602269

SCHEMBL6602269

CCOc1cc(-c2ccc(OC)cc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
TDO2 P48775 3/20 0.37
NPM1 P06748 1/20 0.37
ALK Q9UM73 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6606013 0.94 RXFP1 (0.37) IDO1TDO2RXFP1ALDH1A1MAPT
SCHEMBL6602524 0.90 ADORA1 (0.40) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6603578 0.89 RXFP1 (0.36) IDO1TDO2RXFP1ALDH1A1MAPT
SCHEMBL6600812 0.87 S1PR1 (0.35) IDO1TDO2RXFP1ALDH1A1MAPT
SCHEMBL6613466 0.86 TP53 (0.43) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL6607341 0.86 CNR2 (0.36) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL6602671 0.85 RXFP1 (0.39) IDO1TDO2RXFP1ALDH1A1MAPT
SCHEMBL6602616 0.84 PTGES (0.35) RXFP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6601651 0.84 RXFP1 (0.36) RXFP1ALDH1A1KDM4EPKMKMT2A
SCHEMBL6803979 0.84 MAPT (0.37) RXFP1ALDH1A1MAPTKDM4ELMNA

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 IDO1 2934/4885TDO2 3274/4885NPM1 1226/4885

“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.