SCHEMBL6607701

SCHEMBL6607701

CCOc1cc(-c2cccc(C(=O)O)c2)nn1CCOc1ccc(Br)cc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PTPN11 Q06124 1/20 0.43
EIF4EBP1 Q13541 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RAB9A P51151 1/20 0.40
PPARA Q07869 1/20 0.40
HTT P42858 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
SCHEMBL6650555 0.91 KDM4E (0.43) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6616088 0.88 KDM4E (0.45) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6602054 0.87 PTPN11 (0.40) KDM4EKMT2AMEN1PKMALDH1A1
SCHEMBL6629036 0.84 KDM4E (0.46) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6601292 0.83 KDM4E (0.44) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6604695 0.83 TP53 (0.47) KMT2AMEN1ALDH1A1PTPN11HTT
SCHEMBL6606475 0.81 PTPN11 (0.41) KMT2APTPN11EIF4EBP1
SCHEMBL6615534 0.80 TP53 (0.45) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL6618274 0.79 HTR1B (0.42) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL6606254 0.79 TP53 (0.47) KDM4ETDP1KMT2AMEN1ALDH1A1

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 608/4885KMT2A 2911/4885

“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.