SCHEMBL6600752

SCHEMBL6600752

CCOc1c(F)c(-c2cccc(C(=O)OC)c2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
NCEH1 Q6PIU2 1/20 0.36
RXFP1 Q9HBX9 5/20 0.35
KMT2A Q03164 2/20 0.35
MAPK8 P45983 1/20 0.35
ERN1 O75460 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CDK8 P49336 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6606279 0.95 PLAU (0.38) PLAUNCEH1RXFP1KMT2AMAPK8
SCHEMBL6601562 0.93 PLAU (0.40) PLAUNCEH1RXFP1KMT2AMAPK8
SCHEMBL6602537 0.92 PTGFR (0.39) NCEH1RXFP1KMT2ACYP2C9
SCHEMBL6601615 0.91 NCEH1 (0.38) NCEH1RXFP1KMT2ALMNASMN1; SMN2
SCHEMBL6602601 0.88 PLAU (0.39) PLAUNCEH1RXFP1KMT2AMAPK8
SCHEMBL6626483 0.88 KDM4E (0.41) PLAUKMT2ANPC1LMNAALDH1A1
SCHEMBL6605028 0.88 PTPN11 (0.39) RXFP1KMT2ACYP2C9
SCHEMBL6604839 0.87 NCEH1 (0.37) NCEH1RXFP1KMT2AMAPK8LMNA
SCHEMBL6603011 0.86 MAPT (0.36) RXFP1KMT2ALMNASMN1; SMN2CYP2C9
SCHEMBL6804544 0.86 L3MBTL1 (0.33) NCEH1RXFP1KMT2ANPC1HPGD

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 PLAU 3315/4885NCEH1 3856/4885RXFP1 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.