SCHEMBL6606028

SCHEMBL6606028

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(Br)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 1/20 0.39
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
RAB9A P51151 4/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6618274 0.89 HTR1B (0.42) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL6616088 0.88 KDM4E (0.45) ALDH1A1HTTTSHRRAB9AL3MBTL1
SCHEMBL6602669 0.87 KDM4E (0.45) ALDH1A1HTTRAB9ANPC1L3MBTL1
SCHEMBL6600508 0.87 NSD2 (0.40) GAAALDH1A1HTTLTA4HL3MBTL1
SCHEMBL6606680 0.87 MAPT (0.37) GAAALDH1A1HTTRAB9ANPC1
SCHEMBL6606370 0.85 SCN9A (0.38) GAAALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL6602524 0.84 ADORA1 (0.40) ALDH1A1HTTRAB9ANPC1MEN1
SCHEMBL6804874 0.83 L3MBTL1 (0.40) GAAALDH1A1HTTTSHRHSD17B10
SCHEMBL6607058 0.82 ADORA1 (0.41) GAAALDH1A1HTTNPC1MEN1
SCHEMBL6607212 0.82 MAPT (0.43) GAAALDH1A1HTTRAB9ANPC1

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 MGAM 3914/4885GAA 2752/4885SI 4536/4885

“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.