SCHEMBL6606995

SCHEMBL6606995

CCOc1c(Br)c(-c2ccccc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
MAPT P10636 4/20 0.35
MAPK1 P28482 1/20 0.35
PRNP P04156 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGFR P43088 3/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6604916 0.92 ADORA1 (0.38) KMT2ARXFP1ADORA1ADORA2AALDH1A1
SCHEMBL6601538 0.91 KMT2A (0.35) KMT2ARXFP1ADORA1ADORA2AALDH1A1
SCHEMBL6603868 0.91 KMT2A (0.35) KMT2ARXFP1ADORA1ADORA2AALDH1A1
SCHEMBL6802290 0.91 ADORA1 (0.37) KMT2AADORA1ADORA2AALDH1A1MEN1
SCHEMBL6603198 0.89 KMT2A (0.39) KMT2ARXFP1ALDH1A1MEN1KDM4E
SCHEMBL6605955 0.88 PTPN11 (0.40) KMT2ARXFP1NCEH1PTGFR
SCHEMBL6602957 0.85 KDM4E (0.45) KMT2AALDH1A1MEN1KDM4EPKM
SCHEMBL6605414 0.85 NCEH1 (0.39) KMT2ARXFP1ALDH1A1MEN1KDM4E
SCHEMBL6601562 0.85 PLAU (0.40) KMT2ARXFP1ALDH1A1MEN1KDM4E
SCHEMBL6604911 0.84 RXFP1 (0.38) KMT2ARXFP1ALDH1A1MEN1KDM4E

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 KMT2A 2911/4885RXFP1 3332/4885ADORA1 3424/4885

“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.