SCHEMBL3529454

SCHEMBL3529454

Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccccc5)cnc(N)c34)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 1.00
AURKB Q96GD4 10/20 1.00
CYP3A4 P08684 2/20 0.86
AURKA O14965 6/20 0.80
PLK4 O00444 5/20 0.80
ROCK2 O75116 5/20 0.80
NTRK1 P04629 5/20 0.80
LCK P06239 5/20 0.80
FYN P06241 5/20 0.80
CSF1R P07333 5/20 0.80
LYN P07948 5/20 0.80
MET P08581 5/20 0.80
KIT P10721 5/20 0.80
FGFR1 P11362 5/20 0.80
FLT1 P17948 5/20 0.80
MARK3 P27448 5/20 0.80
FLT3 P36888 5/20 0.80
BLK P51451 5/20 0.80
NEK2 P51955 5/20 0.80
LIMK1 P53667 5/20 0.80

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
SCHEMBL3530382 0.96 KDR (0.93) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3530051 0.95 KDR (0.91) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3558774 0.94 KDR (0.89) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3531516 0.94 KDR (0.88) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3571962 0.94 KDR (0.88) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL231766 0.93 KDR (1.00) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3532489 0.93 KDR (0.88) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3531408 0.93 KDR (1.00) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3529311 0.93 KDR (0.86) KDRAURKBCYP3A4AURKAPLK4
SCHEMBL3581493 0.93 KDR (0.86) KDRAURKBCYP3A4AURKAPLK4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US claimed
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 262/4885CYP3A4 2145/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885CYP3A4 1935/4885

“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.