SCHEMBL3533128

SCHEMBL3533128

CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
AURKB Q96GD4 12/20 1.00
AURKA O14965 7/20 0.82
ABL1 P00519 7/20 0.82
NTRK1 P04629 7/20 0.82
LCK P06239 7/20 0.82
CSF1R P07333 7/20 0.82
MET P08581 7/20 0.82
FGFR1 P11362 7/20 0.82
ROCK1 Q13464 7/20 0.82
NTRK2 Q16620 7/20 0.82
BLK P51451 6/20 0.82
STK3 Q13188 6/20 0.82
NEK2 P51955 6/20 0.82
FYN P06241 6/20 0.82
JAK2 O60674 5/20 0.82
PLK4 O00444 5/20 0.82
ROCK2 O75116 5/20 0.82
INSR P06213 5/20 0.82
LYN P07948 5/20 0.82

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
SCHEMBL3530647 0.91 KDR (0.83) KDRAURKBAURKAABL1NTRK1
SCHEMBL3528491 0.91 KDR (0.83) KDRAURKBAURKAABL1NTRK1
SCHEMBL3534414 0.89 KDR (0.89) KDRAURKBAURKAABL1NTRK1
SCHEMBL3526143 0.89 KDR (0.80) KDRAURKBAURKAABL1NTRK1
SCHEMBL3533465 0.88 KDR (0.79) KDRAURKBAURKAABL1NTRK1
SCHEMBL3532372 0.88 KDR (0.82) KDRAURKBAURKAABL1NTRK1
SCHEMBL3533058 0.87 KDR (1.00) KDRAURKBAURKAABL1NTRK1
SCHEMBL3530051 0.87 KDR (0.91) KDRAURKBAURKAABL1NTRK1
SCHEMBL3530261 0.86 KDR (0.75) KDRAURKBAURKAABL1NTRK1
SCHEMBL3529496 0.86 KDR (0.79) KDRAURKBAURKAABL1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740458-B1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP GES FÜR MAN MBH (DE) 2016-08-03 EP disclosed
EP-2740458-A1 Packaging comprising forms of sodium salt of 4-tert-butyl-N-[4-chloro-2-(1-oxy-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide IP Gesellschaft für Management mbH (DE) 2014-06-11 EP disclosed
US-8436179-B2 Kinase inhibitor with improved solubility profile ABBVIE INC. (US) 2013-05-07 US disclosed
WO-2013012909-A1 KINASE INHIBITOR WITH IMPROVED AQUEOUS SOLUBILITY ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
US-20130023555-A1 KINASE INHIBITOR WITH IMPROVED SOLUBILITY PROFILE ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
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 (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-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
US-20130023555-A1 KINASE INHIBITOR WITH IMPROVED SOLUBILITY PROFILE AURKC, AURKA, FLT4 KDR 12/4885AURKB 6/4885AURKA 2/4885

“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.