SCHEMBL1958149

SCHEMBL1958149

COc1ccc2nc(Cl)c(C=C(C#N)c3cccs3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.43
▸ KDM4E B2RXH2 8/20 0.43
▸ MAPT P10636 7/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ TP53 P04637 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 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
SCHEMBL1958145 1.00 EGFR (0.43) EGFRKDM4EMAPTKMT2AMEN1
SCHEMBL1958147 1.00 EGFR (0.43) EGFRKDM4EMAPTKMT2AMEN1
SCHEMBL1959399 0.81 KDR (0.47) EGFRKDM4EMAPTKMT2AMEN1
SCHEMBL1959398 0.81 KDR (0.47) EGFRKDM4EMAPTKMT2AMEN1
SCHEMBL1958328 0.79 MAPT (0.53) EGFRKDM4EMAPTKMT2AMEN1
SCHEMBL1958326 0.79 MAPT (0.53) EGFRKDM4EMAPTKMT2AMEN1
SCHEMBL1960608 0.78 MEN1 (0.51) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL1960611 0.78 MEN1 (0.51) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL1960612 0.78 MEN1 (0.51) KDM4EMAPTKMT2AMEN1TP53
SCHEMBL1960153 0.78 KDM4E (0.52) EGFRKDM4EMAPTKMT2AALDH1A1

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 830/4885KDM4E 4298/4885MAPT 3660/4885

“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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