SCHEMBL3530864

SCHEMBL3530864

CCCN(CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12)CCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.76
AURKA O14965 16/20 0.76
LCK P06239 16/20 0.76
CSF1R P07333 16/20 0.76
FGFR1 P11362 16/20 0.76
ROCK1 Q13464 16/20 0.76
NTRK2 Q16620 15/20 0.76
FLT1 P17948 15/20 0.76
NEK2 P51955 14/20 0.76
ABL1 P00519 14/20 0.76
MET P08581 14/20 0.76
FLT3 P36888 14/20 0.76
MAP4K2 Q12851 14/20 0.76
TAOK1 Q7L7X3 14/20 0.76
AURKB Q96GD4 14/20 0.76
MAP4K4 O95819 13/20 0.76
ROCK2 O75116 13/20 0.76
KIT P10721 13/20 0.76
FYN P06241 12/20 0.76
LYN P07948 12/20 0.76

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
SCHEMBL3529925 0.95 AURKA (0.84) KDRAURKALCKCSF1RFGFR1
SCHEMBL3528394 0.92 KDR (0.90) KDRAURKALCKCSF1RFGFR1
SCHEMBL3526152 0.89 KDR (0.71) KDRAURKALCKCSF1RFGFR1
SCHEMBL3532923 0.89 KDR (0.72) KDRAURKALCKCSF1RFGFR1
SCHEMBL3525517 0.89 KDR (0.73) KDRAURKALCKCSF1RFGFR1
SCHEMBL3534913 0.88 KDR (0.81) KDRAURKALCKCSF1RFGFR1
SCHEMBL3530859 0.86 KDR (1.00) KDRAURKALCKCSF1RFGFR1
SCHEMBL3528945 0.86 KDR (0.84) KDRAURKALCKCSF1RFGFR1
SCHEMBL3528492 0.86 KDR (0.68) KDRAURKALCKCSF1RFGFR1
SCHEMBL3536159 0.85 KDR (0.84) KDRAURKALCKCSF1RFGFR1

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 10 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
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
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885LCK 3/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885LCK 3/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885LCK 3/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKA 207/4885LCK 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.