SCHEMBL3525262

SCHEMBL3525262

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.83
AURKA O14965 13/20 0.83
LCK P06239 13/20 0.83
CSF1R P07333 13/20 0.83
FGFR1 P11362 13/20 0.83
NEK2 P51955 13/20 0.83
ROCK1 Q13464 13/20 0.83
NTRK2 Q16620 13/20 0.83
ABL1 P00519 12/20 0.83
AURKB Q96GD4 12/20 0.83
ROCK2 O75116 12/20 0.83
KIT P10721 12/20 0.83
FLT1 P17948 12/20 0.83
FLT3 P36888 12/20 0.83
RPS6KA3 P51812 11/20 0.83
MET P08581 11/20 0.83
PLK4 O00444 11/20 0.83
LYN P07948 11/20 0.83
RPS6KB1 P23443 11/20 0.83
EPHA2 P29317 11/20 0.83

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
SCHEMBL3528945 0.91 KDR (0.84) KDRAURKALCKCSF1RFGFR1
SCHEMBL3533678 0.91 KDR (1.00) KDRAURKALCKCSF1RFGFR1
SCHEMBL27640626 0.90 AURKA (0.69) KDRAURKALCKCSF1RFGFR1
SCHEMBL3532446 0.88 KDR (0.66) KDRAURKALCKCSF1RFGFR1
SCHEMBL3531308 0.88 KDR (0.80) KDRAURKALCKCSF1RFGFR1
SCHEMBL3534913 0.88 KDR (0.81) KDRAURKALCKCSF1RFGFR1
SCHEMBL3532923 0.88 KDR (0.72) KDRAURKALCKCSF1RFGFR1
SCHEMBL3525723 0.87 KDR (0.70) KDRAURKALCKCSF1RFGFR1
SCHEMBL3528971 0.86 KDR (0.65) KDRAURKALCKCSF1RFGFR1
SCHEMBL3528314 0.86 KDR (0.65) 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 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 494/4885AURKA 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.