SCHEMBL6604292

SCHEMBL6604292

CCCOc1c(F)c(-c2ccc(C(N)=O)cc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 2/20 0.36
NCEH1 Q6PIU2 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PDE5A O76074 1/20 0.33
PTPN1 P18031 2/20 0.33
AGPAT2 O15120 1/20 0.33
PTGFR P43088 2/20 0.33
S1PR1 P21453 1/20 0.33
PTGER1 P34995 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
MPL P40238 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
SCHEMBL6605519 0.95 RXFP1 (0.37) RXFP1KMT2ANCEH1SMN1; SMN2LMNA
SCHEMBL6602174 0.93 PTGFR (0.38) RXFP1KMT2ANCEH1SMN1; SMN2LMNA
SCHEMBL6604839 0.91 NCEH1 (0.37) RXFP1KMT2ANCEH1SMN1; SMN2LMNA
SCHEMBL6601619 0.88 PTGFR (0.39) RXFP1KMT2ANCEH1KDM4EHPGD
SCHEMBL6601615 0.86 NCEH1 (0.38) RXFP1KMT2ANCEH1SMN1; SMN2LMNA
SCHEMBL6605028 0.86 PTPN11 (0.39) RXFP1KMT2APTGFRPTGER1
SCHEMBL6604911 0.85 RXFP1 (0.38) RXFP1KMT2ANCEH1SMN1; SMN2LMNA
SCHEMBL6606279 0.84 PLAU (0.38) RXFP1KMT2ANCEH1SMN1; SMN2LMNA
SCHEMBL6603868 0.82 KMT2A (0.35) RXFP1KMT2ANCEH1LMNAKDM4E
SCHEMBL6602537 0.81 PTGFR (0.39) RXFP1KMT2ANCEH1PTGFRPTGER1

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.