SCHEMBL1957259

SCHEMBL1957259

COc1ccc(C(C#N)=Cc2ccncc2)cc1OC.CS(=O)(=O)O

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR known ✓ P00533 1/20 0.55
▸ PDGFRB known ✓ P09619 1/20 0.55
▸ TUBB4A known ✓ P04350 4/20 0.48
▸ TUBB known ✓ P07437 4/20 0.48
▸ TUBA3C known ✓ P0DPH7 4/20 0.48
▸ TUBA1B known ✓ P68363 4/20 0.48
▸ TUBA4A known ✓ P68366 4/20 0.48
▸ TUBB4B known ✓ P68371 4/20 0.48
▸ TUBB3 known ✓ Q13509 4/20 0.48
▸ TUBB2A known ✓ Q13885 4/20 0.48
▸ TUBB8 known ✓ Q3ZCM7 4/20 0.48
▸ TUBA3E known ✓ Q6PEY2 4/20 0.48
▸ TUBA1A known ✓ Q71U36 4/20 0.48
▸ TUBA1C known ✓ Q9BQE3 4/20 0.48
▸ TUBB6 known ✓ Q9BUF5 4/20 0.48
▸ TUBB2B known ✓ Q9BVA1 4/20 0.48
▸ TUBB1 known ✓ Q9H4B7 4/20 0.48
▸ RECQL P46063 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL1957258 1.00 RECQL (0.55) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL1959904 0.93 SMN1; SMN2 (0.62) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL1959906 0.93 SMN1; SMN2 (0.62) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1959671 0.91 SMN1; SMN2 (0.60) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1959669 0.91 SMN1; SMN2 (0.60) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL6904792 0.83 PDE4A (0.55) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL6904789 0.83 PDE4A (0.55) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL5001733 0.80 MAPT (0.59) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL5001730 0.80 MAPT (0.59) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4995254 0.80 TUBB4A (0.58) RECQLSMN1; SMN2HIF1AEGFRPDGFRB

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 5 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 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 830/4885PDGFRB 1483/4885TUBB4A 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.

Send feedback