SCHEMBL3529804

SCHEMBL3529804

Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 1.00
FLT1 P17948 8/20 1.00
CSF1R P07333 7/20 1.00
KIT P10721 7/20 1.00
ABL1 P00519 6/20 1.00
LCK P06239 6/20 1.00
LYN P07948 6/20 1.00
BLK P51451 6/20 1.00
FLT4 P35916 6/20 1.00
PLK4 O00444 5/20 1.00
AURKA O14965 5/20 1.00
NTRK1 P04629 5/20 1.00
MET P08581 5/20 1.00
FGFR1 P11362 5/20 1.00
MARK3 P27448 5/20 1.00
NEK2 P51955 5/20 1.00
LIMK1 P53667 5/20 1.00
STK3 Q13188 5/20 1.00
ROCK1 Q13464 5/20 1.00
NTRK2 Q16620 5/20 1.00

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
SCHEMBL3528967 0.94 KDR (0.89) KDRFLT1CSF1RKITABL1
SCHEMBL3527326 0.94 KDR (0.88) KDRFLT1CSF1RKITABL1
SCHEMBL3535396 0.94 KDR (0.88) KDRFLT1CSF1RKITABL1
SCHEMBL3527944 0.91 KDR (0.83) KDRFLT1CSF1RKITABL1
SCHEMBL3525791 0.90 KDR (0.82) KDRFLT1CSF1RKITABL1
SCHEMBL3567361 0.90 KDR (0.81) KDRFLT1CSF1RKITABL1
SCHEMBL3528446 0.90 KDR (0.81) KDRFLT1CSF1RKITABL1
SCHEMBL3524733 0.89 KDR (0.80) KDRFLT1CSF1RKITABL1
SCHEMBL3531321 0.89 KDR (0.80) KDRFLT1CSF1RKITABL1
SCHEMBL1378518 0.88 KDR (0.79) KDRFLT1CSF1RKITABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US claimed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US claimed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US claimed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US claimed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US claimed
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
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US 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 (5 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-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 KDR 511/4885FLT1 891/4885CSF1R 1545/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885

“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.