SCHEMBL3529012

SCHEMBL3529012

Nc1ncc(C#Cc2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.67
FLT3 P36888 13/20 0.67
AURKA O14965 12/20 0.67
ABL1 P00519 12/20 0.67
LCK P06239 12/20 0.67
CSF1R P07333 12/20 0.67
FGFR1 P11362 12/20 0.67
FLT1 P17948 12/20 0.67
NEK2 P51955 12/20 0.67
ROCK1 Q13464 12/20 0.67
NTRK2 Q16620 12/20 0.67
KIT P10721 12/20 0.67
AURKB Q96GD4 11/20 0.67
RPS6KA3 P51812 10/20 0.67
NTRK1 P04629 10/20 0.67
PLK4 O00444 10/20 0.67
LYN P07948 10/20 0.67
RPS6KB1 P23443 10/20 0.67
EPHA2 P29317 10/20 0.67
FLT4 P35916 10/20 0.67

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
SCHEMBL27640512 0.90 KDR (0.66) KDRFLT3AURKAABL1LCK
SCHEMBL3524733 0.89 KDR (0.80) KDRFLT3AURKAABL1LCK
SCHEMBL3526961 0.89 BRAF (0.78) KDRFLT3AURKAABL1LCK
SCHEMBL3534988 0.88 KDR (0.85) KDRFLT3AURKAABL1LCK
SCHEMBL3525723 0.88 KDR (0.70) KDRFLT3AURKAABL1LCK
SCHEMBL3531308 0.88 KDR (0.80) KDRFLT3AURKAABL1LCK
SCHEMBL3535120 0.87 KDR (0.78) KDRFLT3AURKAABL1LCK
SCHEMBL3531654 0.87 KDR (0.63) KDRFLT3AURKAABL1LCK
SCHEMBL3526107 0.86 KDR (0.81) KDRFLT3AURKAABL1LCK
SCHEMBL5025624 0.85 KDR (0.58) KDRFLT3AURKAABL1LCK

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 494/4885FLT3 25/4885AURKA 207/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885FLT3 25/4885AURKA 207/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885FLT3 25/4885AURKA 207/4885

“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.