SCHEMBL6603253

SCHEMBL6603253

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccco2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MYC P01106 1/20 0.37
GAA P10253 1/20 0.36
FLT3 P36888 1/20 0.35
SCN9A Q15858 1/20 0.35
ABCB1 P08183 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 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
SCHEMBL6603644 0.86 HPGD (0.38) KDM4EPOLBMAPTATML3MBTL1
SCHEMBL6602464 0.86 KDM4E (0.40) KDM4EPOLBMAPTATML3MBTL1
SCHEMBL6603641 0.84 KDM4E (0.38) KDM4EPOLBMAPTATML3MBTL1
SCHEMBL6606370 0.83 SCN9A (0.38) KDM4EL3MBTL1HPGDALDH1A1LMNA
SCHEMBL6601666 0.83 CYP11B1 (0.40) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL6601689 0.82 SCN9A (0.38) SCN9AXDH
SCHEMBL6601735 0.80 HPGD (0.39) KDM4EPOLBMAPTHPGDHSD17B10
SCHEMBL6805250 0.76 ICMT (0.42) POLBMAPTATML3MBTL1HPGD
SCHEMBL6613384 0.74 CYP3A4 (0.36) MAPTATML3MBTL1HPGDLMNA
SCHEMBL6804874 0.74 L3MBTL1 (0.40) KDM4EPOLBMAPTL3MBTL1HPGD

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 3990/4885POLB 749/4885MAPT 3013/4885

“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.