SCHEMBL3530841

SCHEMBL3530841

Cc1cc2cc(OS(=O)(=O)C(F)(F)F)cc(F)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
HTR1A P08908 3/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
HSD11B1 P28845 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
AXL P30530 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PLK4 O00444 1/20 0.30
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL17453006 0.76 AXL (0.49) AXL
SCHEMBL17175867 0.75 AXL (0.34) AXL
SCHEMBL3524823 0.75 HTR1A (0.39) HTR6HTR1AHTR1DHTR1BHSD11B1
SCHEMBL1844110 0.73 CA1 (0.38) HTR2CHTR7HTR6HTR1AHTR1D
SCHEMBL18106651 0.71 HTR1A (0.35) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL1757934 0.70 MAPK1 (0.36) CA1
SCHEMBL16858476 0.70 KDM4E (0.38) HTR2CHTR7HTR6HTR1AHTR1D
SCHEMBL1757449 0.69 HRH4 (0.41) CA1AXLPLK4AURKAJAK2
SCHEMBL22444605 0.69 ACHE (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL1473223 0.69 HTR1D (0.35) HTR1AHTR1DHTR1BHSD11B1CA1

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
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
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 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
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK HTR2C 1430/4885HTR7 1592/4885HTR6 1175/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK HTR2C 1430/4885HTR7 1592/4885HTR6 1175/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK HTR2C 1430/4885HTR7 1592/4885HTR6 1175/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK HTR2C 1430/4885HTR7 1592/4885HTR6 1175/4885

“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.