SCHEMBL3530261

SCHEMBL3530261

Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C(=O)NCc5cccnc5)cnc(N)c34)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.75
AURKB Q96GD4 10/20 0.75
CYP3A4 P08684 1/20 0.72
AURKA O14965 7/20 0.68
LCK P06239 7/20 0.68
CSF1R P07333 7/20 0.68
FGFR1 P11362 7/20 0.68
ROCK1 Q13464 7/20 0.68
BLK P51451 6/20 0.68
STK3 Q13188 6/20 0.68
FLT1 P17948 6/20 0.68
ABL1 P00519 6/20 0.68
NTRK1 P04629 6/20 0.68
NTRK2 Q16620 6/20 0.68
FYN P06241 6/20 0.68
MET P08581 6/20 0.68
JAK2 O60674 5/20 0.68
ALK Q9UM73 5/20 0.68
FLT3 P36888 5/20 0.68
MAP4K4 O95819 5/20 0.68

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
SCHEMBL3526854 0.87 KDR (0.74) KDRAURKBCYP3A4AURKALCK
SCHEMBL3526859 0.87 KDR (0.74) KDRAURKBCYP3A4AURKALCK
SCHEMBL3533128 0.86 KDR (1.00) KDRAURKBCYP3A4AURKALCK
SCHEMBL233442 0.84 KDR (1.00) KDRAURKBCYP3A4AURKALCK
SCHEMBL3530647 0.83 KDR (0.83) KDRAURKBCYP3A4AURKALCK
SCHEMBL3528491 0.83 KDR (0.83) KDRAURKBCYP3A4AURKALCK
SCHEMBL1694775 0.82 KDR (0.97) KDRAURKBCYP3A4AURKALCK
SCHEMBL3526143 0.81 KDR (0.80) KDRAURKBCYP3A4AURKALCK
SCHEMBL3532028 0.81 KDR (0.78) KDRAURKBCYP3A4AURKALCK
SCHEMBL231766 0.81 KDR (1.00) KDRAURKBCYP3A4AURKALCK

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 11 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
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
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 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-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885
US-20130023555-A1 KINASE INHIBITOR WITH IMPROVED SOLUBILITY PROFILE AURKC, AURKA, FLT4 KDR 12/4885AURKB 6/4885CYP3A4 4043/4885

“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.