SCHEMBL6603093

SCHEMBL6603093

CCOc1cc(-c2cccc(Cl)c2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
AVPR1A P37288 1/20 0.33
EIF4EBP1 Q13541 3/20 0.33
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
S1PR4 O95977 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
MAPT P10636 3/20 0.32
TLR8 Q9NR97 1/20 0.32
LMNA P02545 2/20 0.32
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6602616 0.90 PTGES (0.35) PTGESKMT2ARXFP1MEN1HPGD
SCHEMBL6602524 0.90 ADORA1 (0.40) KMT2ARXFP1MEN1S1PR4NCEH1
SCHEMBL6602054 0.87 PTPN11 (0.40) KMT2ARXFP1MEN1EIF4EBP1NCEH1
SCHEMBL6804459 0.87 KMT2A (0.36) KMT2ARXFP1MEN1EIF4EBP1MAPT
SCHEMBL6601090 0.86 CYP11B1 (0.45) KMT2ARXFP1MEN1MAPTHTT
SCHEMBL6607170 0.85 PLAU (0.40) KMT2ARXFP1NCEH1MAPTLMNA
SCHEMBL6600812 0.85 S1PR1 (0.35) KMT2ARXFP1MEN1MCHR1NCEH1
SCHEMBL6603578 0.85 RXFP1 (0.36) KMT2ARXFP1MEN1HPGDNCEH1
SCHEMBL6606013 0.84 RXFP1 (0.37) KMT2ARXFP1HPGDNCEH1MAPT
SCHEMBL6607058 0.84 ADORA1 (0.41) PTGESKMT2AMEN1S1PR4NCEH1

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 PTGES 2931/4885KMT2A 2911/4885RXFP1 3332/4885

“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.