SCHEMBL3532938

SCHEMBL3532938

COc1cc(-c2csc3c(/C=C/C(=O)NCCN4CCCCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.81
FYN P06241 5/20 0.81
KDR P35968 2/20 0.81
CHEK1 O14757 1/20 0.81
AURKA O14965 1/20 0.81
JAK2 O60674 1/20 0.81
PRKD3 O94806 1/20 0.81
MAP4K4 O95819 1/20 0.81
PAK4 O96013 1/20 0.81
ABL1 P00519 1/20 0.81
NTRK1 P04629 1/20 0.81
CSF1R P07333 1/20 0.81
RET P07949 1/20 0.81
MET P08581 1/20 0.81
PDGFRB P09619 1/20 0.81
PIM1 P11309 1/20 0.81
FGFR1 P11362 1/20 0.81
PDGFRA P16234 1/20 0.81
PRKACA P17612 1/20 0.81
FLT1 P17948 1/20 0.81

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
SCHEMBL3532942 1.00 LCK (0.81) LCKFYNKDRCHEK1AURKA
SCHEMBL5016881 0.99 LCK (0.82) LCKFYNKDRCHEK1AURKA
SCHEMBL5016885 0.99 LCK (0.82) LCKFYNKDRCHEK1AURKA
SCHEMBL5025745 0.92 LCK (0.79) LCKFYNKDRCHEK1AURKA
SCHEMBL5025751 0.92 LCK (0.79) LCKFYNKDRCHEK1AURKA
SCHEMBL5025737 0.91 LCK (0.87) LCKFYNKDRCHEK1AURKA
SCHEMBL5025732 0.91 LCK (0.87) LCKFYNKDRCHEK1AURKA
SCHEMBL5017328 0.91 LCK (0.78) LCKFYNKDRCHEK1AURKA
SCHEMBL5017327 0.91 LCK (0.78) LCKFYNKDRCHEK1AURKA
SCHEMBL5015579 0.91 LCK (0.78) LCKFYNKDRCHEK1AURKA

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 LCK 12/4885FYN 47/4885KDR 511/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885KDR 494/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885KDR 494/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885KDR 494/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK LCK 3/4885FYN 31/4885KDR 494/4885

“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.