SCHEMBL3536076

SCHEMBL3536076

CNC(=O)C=Cc1cnc(N)c2c(-c3ccc(C)cc3)csc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.72
AURKB Q96GD4 10/20 0.72
PLK4 O00444 11/20 0.71
MAP4K4 O95819 11/20 0.71
CSF1R P07333 11/20 0.71
LYN P07948 11/20 0.71
FGFR1 P11362 11/20 0.71
SRC P12931 11/20 0.71
FLT1 P17948 11/20 0.71
FGFR3 P22607 11/20 0.71
RPS6KB1 P23443 11/20 0.71
BLK P51451 11/20 0.71
MAP4K2 Q12851 11/20 0.71
MINK1 Q8N4C8 11/20 0.71
SLK Q9H2G2 11/20 0.71
NEK2 P51955 10/20 0.71
STK3 Q13188 10/20 0.71
FYN P06241 10/20 0.71
LCK P06239 10/20 0.71
FLT4 P35916 9/20 0.71

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
SCHEMBL3536072 1.00 KDR (0.72) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3533711 0.92 KDR (0.71) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3533708 0.92 KDR (0.71) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3534055 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3534063 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3533518 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3533519 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3529684 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3525828 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R
SCHEMBL3525832 0.90 KDR (0.68) KDRAURKBPLK4MAP4K4CSF1R

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
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 511/4885AURKB 262/4885PLK4 528/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885PLK4 442/4885

“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.