SCHEMBL3531883

SCHEMBL3531883

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.81
LCK P06239 17/20 0.81
CSF1R P07333 17/20 0.81
FGFR1 P11362 17/20 0.81
FLT1 P17948 17/20 0.81
ROCK1 Q13464 17/20 0.81
KDR P35968 17/20 0.81
MET P08581 16/20 0.81
ABL1 P00519 16/20 0.81
FLT3 P36888 16/20 0.81
NTRK2 Q16620 16/20 0.81
MAP4K2 Q12851 15/20 0.81
TAOK1 Q7L7X3 15/20 0.81
NEK2 P51955 15/20 0.81
MAP4K4 O95819 14/20 0.81
AURKB Q96GD4 14/20 0.81
KIT P10721 14/20 0.81
FYN P06241 14/20 0.81
PTK2 Q05397 13/20 0.81
ROCK2 O75116 13/20 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
SCHEMBL3525517 0.95 KDR (0.73) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3528495 0.94 KDR (0.80) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3530389 0.91 KDR (0.68) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3530771 0.90 KDR (0.69) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3532623 0.90 CSF1R (0.70) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3530859 0.89 KDR (1.00) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3535120 0.89 KDR (0.78) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3525281 0.89 KDR (0.67) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3529925 0.89 AURKA (0.84) AURKALCKCSF1RFGFR1FLT1
SCHEMBL3526107 0.88 KDR (0.81) AURKALCKCSF1RFGFR1FLT1

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 AURKA 207/4885LCK 3/4885CSF1R 1197/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK AURKA 207/4885LCK 3/4885CSF1R 1197/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK AURKA 207/4885LCK 3/4885CSF1R 1197/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK AURKA 207/4885LCK 3/4885CSF1R 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.