SCHEMBL3528124

SCHEMBL3528124

Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
AURKB Q96GD4 13/20 1.00
AURKA O14965 10/20 1.00
ROCK2 O75116 10/20 1.00
MAP4K4 O95819 10/20 1.00
LYN P07948 10/20 1.00
FGFR1 P11362 10/20 1.00
FLT1 P17948 10/20 1.00
BLK P51451 10/20 1.00
NEK2 P51955 10/20 1.00
STK3 Q13188 10/20 1.00
ROCK1 Q13464 10/20 1.00
TAOK1 Q7L7X3 10/20 1.00
CSF1R P07333 10/20 1.00
FYN P06241 9/20 1.00
MET P08581 9/20 1.00
MARK2 Q7KZI7 9/20 1.00
LIMK1 P53667 9/20 1.00
NTRK2 Q16620 9/20 1.00
LCK P06239 9/20 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
SCHEMBL3530037 0.90 KDR (0.81) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL3531557 0.90 KDR (1.00) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL3535351 0.89 KDR (0.83) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL3529474 0.89 KDR (0.80) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL3527777 0.88 KDR (0.82) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL3529252 0.87 KDR (1.00) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL3527572 0.87 KDR (0.81) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL17165797 0.84 KDR (0.75) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL14633305 0.84 KDR (0.75) KDRAURKBAURKAROCK2MAP4K4
SCHEMBL14633822 0.84 AURKA (0.78) KDRAURKBAURKAROCK2MAP4K4

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 9 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

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

For each of this compound's patents that has machine-readable text (3 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-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885AURKA 207/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885AURKA 207/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885AURKA 207/4885

“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.