SCHEMBL1959398

SCHEMBL1959398

COc1ccc2nc(Cl)c(/C=C(\C#N)c3ccsc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.47
▸ EGFR P00533 1/20 0.46
▸ GSK3B P49841 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ NQO1 P15559 2/20 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
SCHEMBL1959399 1.00 KDR (0.47) KDREGFRGSK3BKDM4EKMT2A
SCHEMBL1959908 0.82 EGFR (0.49) EGFRGSK3BKDM4EKMT2AL3MBTL1
SCHEMBL1959913 0.82 EGFR (0.49) EGFRGSK3BKDM4EKMT2AL3MBTL1
SCHEMBL1958149 0.81 EGFR (0.43) EGFRGSK3BKDM4EKMT2AL3MBTL1
SCHEMBL1958145 0.81 EGFR (0.43) EGFRGSK3BKDM4EKMT2AL3MBTL1
SCHEMBL1958147 0.81 EGFR (0.43) EGFRGSK3BKDM4EKMT2AL3MBTL1
SCHEMBL1960153 0.80 KDM4E (0.52) EGFRKDM4EKMT2AL3MBTL1PDGFRB
SCHEMBL1960152 0.80 KDM4E (0.52) EGFRKDM4EKMT2AL3MBTL1PDGFRB
SCHEMBL1958328 0.79 MAPT (0.53) EGFRKDM4EKMT2AL3MBTL1MAPT
SCHEMBL1958326 0.79 MAPT (0.53) EGFRKDM4EKMT2AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US claimed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP claimed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 KDR 1293/4885EGFR 830/4885GSK3B 2804/4885

“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.

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