SCHEMBL3532791

SCHEMBL3532791

Cc1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ccnc(N)c34)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 1.00
TEK Q02763 14/20 0.72
KIT P10721 13/20 0.72
PLK4 O00444 2/20 0.69
AURKA O14965 2/20 0.69
ROCK2 O75116 2/20 0.69
MAP4K4 O95819 2/20 0.69
ABL1 P00519 2/20 0.69
LCK P06239 2/20 0.69
CSF1R P07333 2/20 0.69
LYN P07948 2/20 0.69
RET P07949 2/20 0.69
FGFR1 P11362 2/20 0.69
FLT1 P17948 2/20 0.69
FGFR3 P22607 2/20 0.69
RPS6KB1 P23443 2/20 0.69
EPHA2 P29317 2/20 0.69
AXL P30530 2/20 0.69
FLT3 P36888 2/20 0.69
FRK P42685 2/20 0.69

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
SCHEMBL3527518 0.90 KDR (0.82) KDRTEKKITPLK4AURKA
SCHEMBL3531138 0.88 KDR (0.78) KDRTEKKITPLK4AURKA
SCHEMBL3528097 0.84 KDR (0.74) KDRTEKKITPLK4AURKA
SCHEMBL4467321 0.84 KDR (1.00) KDRTEKKITPLK4AURKA
SCHEMBL3529921 0.83 KDR (0.71) KDRTEKKITPLK4AURKA
SCHEMBL234334 0.82 KDR (1.00) KDRTEKKITPLK4AURKA
SCHEMBL3528304 0.78 KDR (0.64) KDRTEKKITPLK4AURKA
SCHEMBL6384879 0.78 KDR (0.64) KDRTEKKITPLK4AURKA
SCHEMBL3526386 0.78 KDR (0.75) KDRTEKKITPLK4AURKA
SCHEMBL4762288 0.78 KDR (0.75) KDRTEKKITPLK4AURKA

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
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 511/4885TEK 490/4885KIT 340/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885TEK 346/4885KIT 188/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885TEK 346/4885KIT 188/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885TEK 346/4885KIT 188/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885TEK 346/4885KIT 188/4885

“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.