SCHEMBL3535756

SCHEMBL3535756

N#Cc1ccc(-c2cnc(N)c3c(Br)csc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.44
EPHB4 P54760 6/20 0.42
HTT P42858 1/20 0.42
MAP4K4 O95819 1/20 0.41
KDR P35968 3/20 0.39
AURKB Q96GD4 1/20 0.37

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
SCHEMBL3528737 0.85 BTK (0.52) BTKEPHB4MAP4K4KDRAURKB
SCHEMBL3525488 0.84 BTK (0.49) BTKEPHB4MAP4K4KDRAURKB
SCHEMBL3534163 0.81 BTK (0.55) BTKEPHB4MAP4K4KDRAURKB
SCHEMBL3529709 0.81 BTK (0.59) BTKEPHB4KDRAURKB
SCHEMBL3526975 0.76 EPHB4 (0.52) BTKEPHB4MAP4K4KDRAURKB
SCHEMBL3527128 0.76 CYP2A6 (0.49) BTKEPHB4KDRAURKB
SCHEMBL27640566 0.75 BTK (0.42) BTKEPHB4MAP4K4KDRAURKB
SCHEMBL31129022 0.75 HTT (0.42) EPHB4HTTKDR
SCHEMBL3530274 0.75 BTK (0.49) BTKEPHB4MAP4K4KDRAURKB
SCHEMBL3535513 0.74 KDR (0.44) BTKEPHB4MAP4K4KDRAURKB

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 BTK 103/4885EPHB4 896/4885HTT 4072/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885EPHB4 896/4885HTT 4072/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK BTK 103/4885EPHB4 896/4885HTT 4072/4885

“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.