Sugi Predict

Sugi Predict / Compounds / SCHEMBL3528322

SCHEMBL3528322

SCHEMBL3528322

CCN1CCN(C(=O)c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)cc4)csc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.69
▸ AURKB Q96GD4 14/20 0.69
▸ AURKA O14965 10/20 0.64
▸ ABL1 P00519 10/20 0.64
▸ LCK P06239 10/20 0.64
▸ CSF1R P07333 10/20 0.64
▸ MET P08581 10/20 0.64
▸ FGFR1 P11362 10/20 0.64
▸ FLT1 P17948 10/20 0.64
▸ FLT3 P36888 10/20 0.64
▸ ROCK1 Q13464 10/20 0.64
▸ NTRK2 Q16620 10/20 0.64
▸ MAP4K4 O95819 9/20 0.64
▸ PTK2 Q05397 9/20 0.64
▸ MAP4K2 Q12851 9/20 0.64
▸ TAOK1 Q7L7X3 9/20 0.64
▸ NEK2 P51955 9/20 0.64
▸ BLK P51451 8/20 0.64
▸ STK3 Q13188 8/20 0.64
▸ FYN P06241 8/20 0.64

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
SCHEMBL3528845 0.91 KDR (0.72) KDRAURKBAURKAABL1LCK
SCHEMBL3527697 0.91 KDR (0.72) KDRAURKBAURKAABL1LCK
SCHEMBL3525442 0.90 KDR (0.65) KDRAURKBAURKAABL1LCK
SCHEMBL3534816 0.89 KDR (0.69) KDRAURKBAURKAABL1LCK
SCHEMBL3524653 0.89 KDR (0.69) KDRAURKBAURKAABL1LCK
SCHEMBL3528015 0.89 KDR (0.68) KDRAURKBAURKAABL1LCK
SCHEMBL3531798 0.87 KDR (0.70) KDRAURKBAURKAABL1LCK
SCHEMBL3528491 0.83 KDR (0.83) KDRAURKBAURKAABL1LCK
SCHEMBL3530647 0.83 KDR (0.83) KDRAURKBAURKAABL1LCK
SCHEMBL3526143 0.82 KDR (0.80) KDRAURKBAURKAABL1LCK

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885AURKA 207/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885AURKA 207/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK KDR 494/4885AURKB 171/4885AURKA 207/4885

“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.