SCHEMBL3534182

SCHEMBL3534182

Cn1c(C(=O)Cl)cc2cc(Br)ccc21

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.73
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL418126 0.85 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16440985 0.85 MCL1 (0.76) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31435640 0.81 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1096760 0.81 L3MBTL1 (0.70) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10084917 0.81 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3058667 0.80 KDM4E (0.73) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4502502 0.78 KDM4E (0.75) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2322980 0.77 MCL1 (0.71) MCL1
SCHEMBL5504692 0.77 MCL1 (0.64) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1096993 0.77 MCL1 (0.64) MCL1KDM4EALDH1A1HPGDHSD17B10

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
CN-1856498-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB (US) 2006-11-01 CN disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US 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 (7 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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MCL1 1264/4885KDM4E 4218/4885ALDH1A1 3253/4885
US-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 MCL1 1090/4885KDM4E 1020/4885ALDH1A1 1957/4885
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 MCL1 2484/4885KDM4E 3234/4885ALDH1A1 934/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MCL1 731/4885KDM4E 1041/4885ALDH1A1 1899/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK MCL1 731/4885KDM4E 1041/4885ALDH1A1 1899/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MCL1 731/4885KDM4E 1041/4885ALDH1A1 1899/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MCL1 731/4885KDM4E 1041/4885ALDH1A1 1899/4885

“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.