SCHEMBL6601292

SCHEMBL6601292

CCOc1c(F)c(-c2cccc(C(=O)O)c2)nn1CCOc1ccc(Br)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PTPN11 Q06124 1/20 0.41
PTGER1 P34995 5/20 0.41
PPARA Q07869 1/20 0.41
CYP2C9 P11712 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
PTGFR P43088 1/20 0.40
RAB9A P51151 1/20 0.39
EIF4EBP1 Q13541 1/20 0.39

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
SCHEMBL6626483 0.91 KDM4E (0.41) KDM4ETDP1MEN1KMT2APKM
SCHEMBL6629036 0.91 KDM4E (0.46) KDM4ETDP1MEN1KMT2APKM
SCHEMBL6607841 0.88 KDM4E (0.43) KDM4ETDP1MEN1KMT2APKM
SCHEMBL6602537 0.88 PTGFR (0.39) KMT2APTPN11PTGER1CYP2C9PTGFR
SCHEMBL6607701 0.83 KDM4E (0.46) KDM4ETDP1MEN1KMT2APKM
SCHEMBL6605028 0.83 PTPN11 (0.39) KMT2APTPN11PTGER1PPARACYP2C9
SCHEMBL6628855 0.82 KDM4E (0.42) KDM4ETDP1MEN1KMT2APKM
SCHEMBL6602423 0.80 MRGPRX4 (0.51) PPARAMRGPRX4EIF4EBP1
SCHEMBL6600752 0.80 PLAU (0.39) KDM4EMEN1KMT2AALDH1A1CYP2C9
SCHEMBL6605955 0.79 PTPN11 (0.40) KMT2APTPN11PTGER1PPARAPTGFR

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 KDM4E 3990/4885TDP1 608/4885MEN1 2036/4885

“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.