SCHEMBL3530859

SCHEMBL3530859

CCN(CC)CC#Cc1cnc(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 20/20 1.00
AURKA O14965 13/20 1.00
ABL1 P00519 13/20 1.00
LCK P06239 13/20 1.00
CSF1R P07333 13/20 1.00
FGFR1 P11362 13/20 1.00
FLT1 P17948 13/20 1.00
FLT3 P36888 13/20 1.00
ROCK1 Q13464 13/20 1.00
NTRK2 Q16620 13/20 1.00
AURKB Q96GD4 13/20 1.00
NEK2 P51955 12/20 1.00
MAP4K4 O95819 12/20 1.00
MET P08581 12/20 1.00
PTK2 Q05397 12/20 1.00
MAP4K2 Q12851 12/20 1.00
TAOK1 Q7L7X3 12/20 1.00
ROCK2 O75116 11/20 1.00
KIT P10721 11/20 1.00
FYN P06241 10/20 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
SCHEMBL3528394 0.95 KDR (0.90) KDRAURKAABL1LCKCSF1R
SCHEMBL3531600 0.94 KDR (1.00) KDRAURKAABL1LCKCSF1R
SCHEMBL3529925 0.92 AURKA (0.84) KDRAURKAABL1LCKCSF1R
SCHEMBL3535104 0.90 KDR (0.89) KDRAURKAABL1LCKCSF1R
SCHEMBL3532248 0.90 KDR (0.84) KDRAURKAABL1LCKCSF1R
SCHEMBL3618517 0.90 KDR (0.85) KDRAURKAABL1LCKCSF1R
SCHEMBL3570803 0.90 KDR (0.86) KDRAURKAABL1LCKCSF1R
SCHEMBL3528875 0.90 KDR (1.00) KDRAURKAABL1LCKCSF1R
SCHEMBL3531883 0.89 AURKA (0.81) KDRAURKAABL1LCKCSF1R
SCHEMBL3528658 0.89 KDR (1.00) KDRAURKAABL1LCKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US claimed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US claimed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US claimed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US claimed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US claimed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US claimed
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
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 511/4885AURKA 293/4885ABL1 1/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885ABL1 1/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885ABL1 1/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885ABL1 1/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885ABL1 1/4885

“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.