SCHEMBL6600508

SCHEMBL6600508

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
NSD3 Q9BZ95 1/20 0.40
KDM1A O60341 1/20 0.40
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGFR P43088 1/20 0.36
IDO1 P14902 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
GALR3 O60755 1/20 0.35
GAA P10253 1/20 0.35
NPY1R P25929 1/20 0.35
STAT3 P40763 1/20 0.35
NPY2R P49146 1/20 0.35
LTA4H P09960 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 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
SCHEMBL6618274 0.89 HTR1B (0.42) KMT2AL3MBTL1ADORA2AADORA1ALDH1A1
SCHEMBL6605678 0.89 KMT2A (0.40) KDM1AKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL6616088 0.88 KDM4E (0.45) KMT2AL3MBTL1ADORA2AADORA1ALDH1A1
SCHEMBL6603514 0.87 NLRP3 (0.41) KMT2AL3MBTL1MEN1MAPTSTAT3
SCHEMBL6602669 0.87 KDM4E (0.45) L3MBTL1ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6606028 0.87 MGAM (0.43) KMT2AL3MBTL1ALDH1A1IDO1MEN1
SCHEMBL6606680 0.85 MAPT (0.37) KMT2AL3MBTL1ADORA2AADORA1ALDH1A1
SCHEMBL6606370 0.85 SCN9A (0.38) L3MBTL1ADORA2AADORA1ALDH1A1GAA
SCHEMBL6602524 0.84 ADORA1 (0.40) KMT2AADORA2AADORA1ALDH1A1MEN1
SCHEMBL6804874 0.83 L3MBTL1 (0.40) KMT2AL3MBTL1ADORA2AADORA1ALDH1A1

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 NSD2 800/4885NSD3 1249/4885KDM1A 3106/4885

“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.