SCHEMBL6601651

SCHEMBL6601651

CCOc1cc(-c2ccoc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 2/20 0.36
NCEH1 Q6PIU2 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HTR1A P08908 2/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
FYN P06241 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6602524 0.87 ADORA1 (0.40) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6603578 0.86 RXFP1 (0.36) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6606013 0.85 RXFP1 (0.37) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6600812 0.84 S1PR1 (0.35) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6602269 0.84 IDO1 (0.37) RXFP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL6602616 0.84 PTGES (0.35) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6603093 0.83 PTGES (0.34) RXFP1KMT2ANCEH1KDM4EMEN1
SCHEMBL6601090 0.83 CYP11B1 (0.45) RXFP1KMT2AALDH1A1MEN1
SCHEMBL6603203 0.82 NPC1 (0.41) RXFP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL6804138 0.82 RXFP1 (0.36) RXFP1KMT2ANCEH1ALDH1A1

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 RXFP1 3332/4885KMT2A 2911/4885NCEH1 3856/4885

“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.