SCHEMBL1960153

SCHEMBL1960153

COc1ccc2nc(Cl)c(C=C(C#N)c3cccnc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ EGFR P00533 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ KIF20A O95235 4/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ CLK1 P49759 2/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ SCD O00767 1/20 0.41

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
SCHEMBL1960152 1.00 KDM4E (0.52) KDM4ERAB9ANPC1POLBEGFR
SCHEMBL1959908 0.81 EGFR (0.49) KDM4EEGFRMAPTCYP1A2CYP2C9
SCHEMBL1959913 0.81 EGFR (0.49) KDM4EEGFRMAPTCYP1A2CYP2C9
SCHEMBL1959399 0.80 KDR (0.47) KDM4ERAB9AEGFRSMN1; SMN2PDGFRB
SCHEMBL1959398 0.80 KDR (0.47) KDM4ERAB9AEGFRSMN1; SMN2PDGFRB
SCHEMBL1958328 0.80 MAPT (0.53) KDM4ERAB9ANPC1POLBEGFR
SCHEMBL1958326 0.80 MAPT (0.53) KDM4ERAB9ANPC1POLBEGFR
SCHEMBL1958149 0.78 EGFR (0.43) KDM4ERAB9ANPC1POLBEGFR
SCHEMBL1958147 0.78 EGFR (0.43) KDM4ERAB9ANPC1POLBEGFR
SCHEMBL1958145 0.78 EGFR (0.43) KDM4ERAB9ANPC1POLBEGFR

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 KDM4E 4298/4885RAB9A 3142/4885NPC1 59/4885

“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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