SCHEMBL1957467

SCHEMBL1957467

COc1ccc(C(C#N)=Cc2ccnc3ccccc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.48
▸ PDGFRB P09619 2/20 0.47
▸ PDGFRA P16234 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ MAPT P10636 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CREBBP Q92793 1/20 0.43

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
SCHEMBL1957465 1.00 GCGR (0.48) GCGRPDGFRBPDGFRARECQLSMN1; SMN2
SCHEMBL5613889 0.81 KDM4E (0.49) GCGRPDGFRBPDGFRARECQLSMN1; SMN2
SCHEMBL5613888 0.81 KDM4E (0.49) GCGRPDGFRBPDGFRARECQLSMN1; SMN2
SCHEMBL11652104 0.80 IMPDH2 (0.51) GCGRRECQLSMN1; SMN2HIF1AMAPT
SCHEMBL1959686 0.78 PDE4B (0.46) PDGFRBPDGFRARECQLSMN1; SMN2HIF1A
SCHEMBL1959689 0.78 PDE4B (0.46) PDGFRBPDGFRARECQLSMN1; SMN2HIF1A
SCHEMBL1959650 0.77 MAPT (0.70) PDGFRBPDGFRARECQLSMN1; SMN2HIF1A
SCHEMBL1959652 0.77 MAPT (0.70) PDGFRBPDGFRARECQLSMN1; SMN2HIF1A
SCHEMBL4998763 0.77 TUBB4A (0.51) PDGFRBPDGFRARECQLSMN1; SMN2HIF1A
SCHEMBL4998760 0.77 TUBB4A (0.51) PDGFRBPDGFRARECQLSMN1; SMN2HIF1A

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 9 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
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 GCGR 1792/4885PDGFRB 1483/4885PDGFRA 1947/4885

“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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