SCHEMBL3533198

SCHEMBL3533198

COc1ccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.71
ROCK2 O75116 6/20 0.69
LCK P06239 6/20 0.69
FGFR1 P11362 6/20 0.69
FLT1 P17948 6/20 0.69
FLT3 P36888 6/20 0.69
MAP4K2 Q12851 6/20 0.69
ROCK1 Q13464 6/20 0.69
NTRK2 Q16620 6/20 0.69
HIPK4 Q8NE63 6/20 0.69
AURKB Q96GD4 6/20 0.69
MAP4K5 Q9Y4K4 6/20 0.69
AURKA O14965 5/20 0.69
RPS6KA5 O75582 5/20 0.69
MAP4K4 O95819 5/20 0.69
LYN P07948 5/20 0.69
RET P07949 5/20 0.69
RPS6KB1 P23443 5/20 0.69
AXL P30530 5/20 0.69
FRK P42685 5/20 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
SCHEMBL3529517 0.87 KDR (0.85) KDRROCK2LCKFGFR1FLT1
SCHEMBL3535182 0.85 KDR (0.76) KDRROCK2LCKFGFR1FLT1
SCHEMBL3534352 0.83 KDR (1.00) KDRROCK2LCKFGFR1FLT1
SCHEMBL3530439 0.82 KDR (1.00) KDRROCK2LCKFGFR1FLT1
SCHEMBL3531696 0.82 KDR (1.00) KDRROCK2LCKFGFR1FLT1
SCHEMBL3531757 0.82 KDR (0.76) KDRROCK2LCKFGFR1FLT1
SCHEMBL3534864 0.82 KDR (1.00) KDRROCK2LCKFGFR1FLT1
SCHEMBL3530946 0.81 KDR (1.00) KDRROCK2LCKFGFR1FLT1
SCHEMBL234334 0.81 KDR (1.00) KDRROCK2LCKFGFR1FLT1
SCHEMBL3528227 0.81 KDR (0.73) KDRROCK2LCKFGFR1FLT1

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 511/4885ROCK2 504/4885LCK 12/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885ROCK2 455/4885LCK 3/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885ROCK2 455/4885LCK 3/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885ROCK2 455/4885LCK 3/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885ROCK2 455/4885LCK 3/4885

“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.