SCHEMBL3530645

SCHEMBL3530645

CC(C)(N)C#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)csc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.73
FLT1 P17948 13/20 0.73
CSF1R P07333 12/20 0.73
LCK P06239 11/20 0.73
FGFR1 P11362 11/20 0.73
KIT P10721 11/20 0.73
FLT3 P36888 10/20 0.73
AURKA O14965 10/20 0.73
ABL1 P00519 10/20 0.73
MET P08581 10/20 0.73
NEK2 P51955 10/20 0.73
ROCK1 Q13464 10/20 0.73
NTRK2 Q16620 10/20 0.73
FLT4 P35916 10/20 0.73
FGFR3 P22607 9/20 0.73
NTRK1 P04629 9/20 0.73
PLK4 O00444 9/20 0.73
INSR P06213 9/20 0.73
LYN P07948 9/20 0.73
RPS6KB1 P23443 9/20 0.73

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
SCHEMBL3526539 0.92 KDR (0.70) KDRFLT1CSF1RLCKFGFR1
SCHEMBL27640513 0.91 KDR (0.74) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3529372 0.91 KDR (0.77) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3531752 0.90 KDR (0.72) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3535176 0.89 KDR (0.69) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3614665 0.89 KDR (0.69) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3528472 0.89 KDR (0.65) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3524733 0.89 KDR (0.80) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3532623 0.88 CSF1R (0.70) KDRFLT1CSF1RLCKFGFR1
SCHEMBL3531308 0.88 KDR (0.80) KDRFLT1CSF1RLCKFGFR1

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 8 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

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 494/4885FLT1 613/4885CSF1R 1197/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885FLT1 613/4885CSF1R 1197/4885

“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.