SCHEMBL3530830

SCHEMBL3530830

Nc1ncc(-c2cccnc2)c2scc(Br)c12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.60
BRAF P15056 15/20 0.55
CYP3A4 P08684 1/20 0.51
KDR P35968 1/20 0.51
BTK Q06187 1/20 0.48

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
SCHEMBL3534163 0.85 BTK (0.55) EPHB4BRAFKDRBTK
SCHEMBL3529709 0.85 BTK (0.59) EPHB4BRAFCYP3A4KDRBTK
SCHEMBL10259364 0.85 EPHB4 (0.61) EPHB4BRAFCYP3A4KDRBTK
SCHEMBL3530501 0.83 EPHB4 (0.69) EPHB4BRAFCYP3A4KDRBTK
SCHEMBL6928473 0.82 EPHB4 (0.58) EPHB4BRAFCYP3A4KDR
SCHEMBL6924514 0.82 EPHB4 (0.58) EPHB4BRAFCYP3A4KDRBTK
SCHEMBL5109039 0.81 EPHB4 (0.69) EPHB4BRAFCYP3A4KDR
SCHEMBL3527128 0.80 CYP2A6 (0.49) EPHB4BRAFKDRBTK
SCHEMBL3525488 0.80 BTK (0.49) EPHB4KDRBTK
SCHEMBL5550688 0.80 BRAF (0.49) EPHB4BRAFKDRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809345-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
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-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
US-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
US-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
EP-1951728-A2 THIENOPYRIDINE B-RAF KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
WO-2007056625-A2 THIENOPYRIDINE B-RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-18 WO disclosed
WO-2007056625-A2 THIENOPYRIDINE B-RAF KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-18 WO disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
CN-1856498-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB (US) 2006-11-01 CN 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 (6 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 EPHB4 877/4885BRAF 35/4885CYP3A4 2145/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK EPHB4 896/4885BRAF 26/4885CYP3A4 1935/4885
US-20080255184-A1 Thienopyridine B-Raf Kinase Inhibitors BRAF, RAF1, ARAF EPHB4 651/4885BRAF 1/4885CYP3A4 1249/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK EPHB4 896/4885BRAF 26/4885CYP3A4 1935/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK EPHB4 896/4885BRAF 26/4885CYP3A4 1935/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK EPHB4 896/4885BRAF 26/4885CYP3A4 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.