SCHEMBL1958328

SCHEMBL1958328

COc1ccc2nc(Cl)c(C=C(C#N)c3ccccn3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ ATM Q13315 1/20 0.51
▸ EGFR P00533 4/20 0.50
▸ IGF1R P08069 3/20 0.50
▸ IGF2R P11717 3/20 0.50
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45

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
SCHEMBL1958326 1.00 MAPT (0.53) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1960153 0.80 KDM4E (0.52) MAPTRAB9ASMN1; SMN2KMT2AEGFR
SCHEMBL1960152 0.80 KDM4E (0.52) MAPTRAB9ASMN1; SMN2KMT2AEGFR
SCHEMBL1958147 0.79 EGFR (0.43) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1958149 0.79 EGFR (0.43) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1959398 0.79 KDR (0.47) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1958145 0.79 EGFR (0.43) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1959399 0.79 KDR (0.47) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1960608 0.78 MEN1 (0.51) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1960611 0.78 MEN1 (0.51) MAPTRAB9ASMN1; SMN2KMT2AMEN1

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 MAPT 3660/4885RAB9A 3142/4885SMN1; SMN2 4826/4885

“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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