SCHEMBL1959908

SCHEMBL1959908

COc1ccc2nc(Cl)c(/C=C(\C#N)c3ccc(OC)c(OC)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.49
▸ NQO2 P16083 2/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45
▸ TUBB2B Q9BVA1 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.45
▸ NQO1 P15559 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL1959913 1.00 EGFR (0.49) EGFRNQO2TUBB4ATUBBTUBA3C
SCHEMBL1960180 0.88 CYP1A2 (0.53) EGFRMAPTTP53PDE4BTHRB
SCHEMBL1960179 0.88 CYP1A2 (0.53) EGFRMAPTTP53PDE4BTHRB
SCHEMBL1959399 0.82 KDR (0.47) EGFRNQO2TUBB4ATUBBTUBA3C
SCHEMBL1959398 0.82 KDR (0.47) EGFRNQO2TUBB4ATUBBTUBA3C
SCHEMBL1960153 0.81 KDM4E (0.52) EGFRMAPTKDM4EKMT2AL3MBTL1
SCHEMBL1960152 0.81 KDM4E (0.52) EGFRMAPTKDM4EKMT2AL3MBTL1
SCHEMBL1958328 0.77 MAPT (0.53) EGFRMAPTTP53KDM4EKMT2A
SCHEMBL1958147 0.77 EGFR (0.43) EGFRNQO1MAPTTP53KDM4E
SCHEMBL1958145 0.77 EGFR (0.43) EGFRNQO1MAPTTP53KDM4E

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 EGFR 830/4885NQO2 150/4885TUBB4A 1621/4885

“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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