SCHEMBL6602957

SCHEMBL6602957

CCOc1c(Br)c(-c2ccccc2)nn1CCOc1ccc(Br)cc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 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
SCHEMBL6607841 0.89 KDM4E (0.43) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6629036 0.88 KDM4E (0.46) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6606995 0.85 KMT2A (0.37) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6628855 0.84 KDM4E (0.42) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6802290 0.83 ADORA1 (0.37) KDM4EKMT2AMEN1PKMMAPT
SCHEMBL6616088 0.80 KDM4E (0.45) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6604916 0.80 ADORA1 (0.38) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6601292 0.78 KDM4E (0.44) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6606018 0.78 KDM4E (0.43) KDM4ETDP1PKMMAPTL3MBTL1
SCHEMBL6603662 0.78 ICMT (0.41) MAPTL3MBTL1RAB9A

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 KDM4E 3990/4885TDP1 608/4885KMT2A 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.