SCHEMBL17049136

SCHEMBL17049136

COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.37
SLC6A3 Q01959 2/20 0.31
BDKRB1 P46663 2/20 0.31
ABL1 P00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SLC6A2 P23975 1/20 0.30
ACHE P22303 1/20 0.30
CNR1 P21554 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL17049139 0.89 PDK2 (0.35) PDK2
SCHEMBL17049123 0.89 PDK2 (0.30) PDK2
SCHEMBL869547 0.85 PDK2 (0.42) PDK2SLC6A3CA1CA2CNR1
SCHEMBL17049167 0.85 PTGES (0.34)
SCHEMBL1354020 0.83 PDK2 (0.38) PDK2ABL1
SCHEMBL23778641 0.82 KDM4E (0.39) PDK2SLC6A3BDKRB1ABL1CA1
SCHEMBL362563 0.82 KDM4E (0.39) PDK2SLC6A3BDKRB1ABL1CA1
SCHEMBL3667455 0.82 PDK2 (0.36) PDK2HPGD
SCHEMBL1354206 0.82 PDK2 (0.36) PDK2
SCHEMBL3667734 0.82 PDK2 (0.36) PDK2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459019-B Oxazoline compounds 巴斯夫欧洲公司 2020-01-17 CN disclosed
US-10226045-B2 Azoline compounds BASF SE (DE) 2019-03-12 US disclosed
EP-3110811-B1 AZOLINE COMPOUNDS BASF SE (DE) 2018-11-07 EP disclosed
US-20180235226-A1 AZOLINE COMPOUNDS BASF SE (DE) 2018-08-23 US disclosed
US-9968087-B2 Azoline compounds BASF SE (DE) 2018-05-15 US disclosed
EP-3110811-A1 AZOLINE COMPOUNDS BASF SE (DE) 2017-01-04 EP disclosed
US-20160366887-A1 AZOLINE COMPOUNDS BASF SE (DE) 2016-12-22 US disclosed
WO-2015128358-A1 AZOLINE COMPOUNDS BASF SE (DE) 2015-09-03 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 (3 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-10226045-B2 Azoline compounds CCNB2, CCNB1, CYP1B1 PDK2 1507/4885SLC6A3 4309/4885BDKRB1 396/4885
US-20160366887-A1 AZOLINE COMPOUNDS CCNB2, CCNB1, CYP1B1 PDK2 1507/4885SLC6A3 4309/4885BDKRB1 396/4885
US-20180235226-A1 AZOLINE COMPOUNDS CCNB2, CCNB1, CYP1B1 PDK2 1507/4885SLC6A3 4309/4885BDKRB1 396/4885

“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.