Sugi Predict

Sugi Predict / Compounds / SCHEMBL21652275

SCHEMBL21652275

SCHEMBL21652275

FC(F)(F)c1cc(-c2ccccc2N[C@@H](c2ccccc2)[C@@H](Nc2ccccn2)c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.42
▸ ATP1B1 P05026 1/20 0.42
▸ ATP1A3 P13637 1/20 0.42
▸ ATP1B2 P14415 1/20 0.42
▸ ATP1A2 P50993 1/20 0.42
▸ ATP1B3 P54709 1/20 0.42
▸ FXYD2 P54710 1/20 0.42
▸ ATP1A4 Q13733 1/20 0.42
▸ SLC10A1 Q14973 3/20 0.41
▸ TACR1 P25103 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ XPO1 O14980 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL23772944 0.88 SLC10A1 (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21652279 0.84 SLC10A1 (0.45) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652176 0.84 SLC10A1 (0.49) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652271 0.82 SLC10A1 (0.43) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652262 0.79 TACR1 (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21652276 0.79 SLC10A1 (0.50) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652273 0.79 SLC10A1 (0.44) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652272 0.78 SLC10A1 (0.44) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652278 0.77 SLC10A1 (0.42) SLC10A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL21652277 0.76 SLC10A1 (0.41) SLC10A1KDM4EHTTNPSR1L3MBTL1

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-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof Lanzhou Institute of Chemical Physics, Chinese Academy of Science (CN) 2021-11-02 — — US disclosed
US-20210253606-A1 BORON-NITROGEN LIGAND WITH CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE, AND PREPARATION METHOD AND USE THEREOF SUZHOU RESEARCH INSTITUTE, LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-19 — — US disclosed
WO-2020019911-A1 BORON NITROGEN LIGAND BASED ON CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE AND PREPARATION METHOD AND USE THEREOF 中国科学院兰州化学物理研究所苏州研究院 2020-01-30 — — 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 (2 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-20210253606-A1 BORON-NITROGEN LIGAND WITH CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE, AND PREPARATION METHOD AND USE THEREOF C3AR1, BDKRB1, BDKRB2 ATP1A1 2663/4885ATP1B1 1880/4885ATP1A3 3159/4885
US-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof C3AR1, BDKRB1, BDKRB2 ATP1A1 2663/4885ATP1B1 1880/4885ATP1A3 3159/4885

“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.