SCHEMBL6607170

SCHEMBL6607170

CCOc1cc(-c2cccc(C(=O)OC)c2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
MAPK8 P45983 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
RXFP1 Q9HBX9 5/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.36
ELANE P08246 5/20 0.36
CDK8 P49336 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TGFBR1 P36897 1/20 0.35
CCR5 P51681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 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
SCHEMBL6602497 0.94 PLAU (0.40) PLAUMAPK8NCEH1RXFP1KMT2A
SCHEMBL6602054 0.92 PTPN11 (0.40) NCEH1RXFP1KMT2AKDM4E
SCHEMBL6650555 0.87 KDM4E (0.43) PLAUKMT2AELANELMNATGFBR1
SCHEMBL6601562 0.87 PLAU (0.40) PLAUMAPK8NCEH1RXFP1KMT2A
SCHEMBL6602616 0.86 PTGES (0.35) NCEH1RXFP1KMT2AELANELMNA
SCHEMBL6602524 0.86 ADORA1 (0.40) NCEH1RXFP1KMT2ALMNAKDM4E
SCHEMBL6606475 0.86 PTPN11 (0.41) RXFP1KMT2A
SCHEMBL6603093 0.85 PTGES (0.34) NCEH1RXFP1KMT2ALMNASMN1; SMN2
SCHEMBL6600752 0.85 PLAU (0.39) PLAUMAPK8NCEH1RXFP1KMT2A
SCHEMBL6613466 0.85 TP53 (0.43) NCEH1RXFP1KMT2AELANELMNA

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 3315/4885MAPK8 1587/4885NCEH1 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.