Sugi Predict

Sugi Predict / Compounds / SCHEMBL15918385

SCHEMBL15918385

SCHEMBL15918385

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.70
▸ AXL P30530 9/20 0.70
▸ KDR P35968 6/20 0.70
▸ MERTK Q12866 5/20 0.64
▸ FLT3 P36888 4/20 0.64
▸ RET P07949 3/20 0.64
▸ KIT P10721 3/20 0.64
▸ PDGFRB P09619 2/20 0.64
▸ AURKA O14965 2/20 0.64
▸ RIPK2 O43353 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ EGFR P00533 2/20 0.64
▸ ERBB2 P04626 2/20 0.64
▸ NTRK1 P04629 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ LYN P07948 2/20 0.64
▸ HCK P08631 2/20 0.64
▸ ADRA2A P08913 2/20 0.64
▸ BCR P11274 2/20 0.64
▸ FGFR1 P11362 2/20 0.64

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
SCHEMBL15966757 0.91 MET (0.75) METAXLKDRMERTKFLT3
SCHEMBL371850 0.91 MET (0.70) METAXLKDRMERTKFLT3
SCHEMBL372085 0.90 MET (0.77) METAXLKDRMERTKFLT3
SCHEMBL4398401 0.90 MET (0.77) METAXLKDRMERTKFLT3
SCHEMBL29693425 0.90 MET (0.77) METAXLKDRMERTKFLT3
SCHEMBL25513521 0.88 MET (0.75) METAXLKDRMERTKFLT3
SCHEMBL371685 0.88 MET (0.79) METAXLKDRMERTKFLT3
SCHEMBL14821727 0.87 MET (0.73) METAXLKDRMERTKFLT3
SCHEMBL14316081 0.87 MET (0.72) METAXLKDRMERTKFLT3
SCHEMBL14821428 0.86 MET (0.78) METAXLKDRMERTKFLT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2769976-B1 HYDROXAMIC ACID COMPOUND CONTAINING QUINOLYL AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THIS COMPOUND AND USE THEREOF BEIJING KONRUNS PHARMACEUTICAL CO LTD (CN) 2017-08-02 — — EP disclosed
EP-2669289-B1 PHOSPHORUS SUBSTITUTED GROUP-CONTAINING QUINOLINE-LIKE COMPOUND, ITS PREPARATION PROCESS, MEDICAL COMPOSITION CONTAINING THE COMPOUND AND APPLICATION BEIJING KONRUNS PHARMACEUTICAL CO LTD (CN) 2015-11-18 — — EP disclosed
US-9186318-B2 Quinolyl-containing hydroxamic acid compound and preparation method thereof, and pharmaceutical composition containing this compound and use thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD (CN) 2015-11-17 — — US disclosed
US-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2014-08-07 — — US 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-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof HDAC5, HDAC1, HDAC7 MET 1782/4885AXL 2018/4885KDR 3893/4885

“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.