SCHEMBL3531197

SCHEMBL3531197

Nc1ncc(CN2CCOCC2)c2scc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CYP2A13 Q16696 1/20 0.43
PIK3CD O00329 8/20 0.37
PIK3CA P42336 8/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BTK Q06187 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TBK1 Q9UHD2 2/20 0.36
IKBKE Q14164 1/20 0.36
HTT P42858 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
RRM2 P31350 1/20 0.35

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
SCHEMBL3530161 0.85 KDM4E (0.40) KDM4EADORA1
SCHEMBL3529265 0.84 HPGD (0.36) SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3528999 0.76 FGFR1 (0.38) KDM4EALDH1A1
SCHEMBL3531469 0.73 EPHB4 (0.36) BTKHTT
SCHEMBL1251794 0.72 CYP2A13 (0.46) SMN1; SMN2CYP2A13CYP2C9ALOX15HSD17B10
SCHEMBL27922987 0.71 SMN1; SMN2 (0.46) SMN1; SMN2CYP2A13CYP2C9ALOX15HSD17B10
SCHEMBL3530064 0.68 ALDH1A1 (0.34) HSD17B10BTKKDM4EALDH1A1HTT
SCHEMBL27238725 0.67 CYP2A13 (0.50) CYP2A13CYP2C9ALOX15HSD17B10NPC1
SCHEMBL5256309 0.67 CYP2A13 (0.57) SMN1; SMN2CYP2A13CYP2C9ALOX15HSD17B10
SCHEMBL11620967 0.67 CYP2A13 (0.53) SMN1; SMN2CYP2A13CYP2C9ALOX15HSD17B10

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-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
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 (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 SMN1; SMN2 3752/4885CYP2A13 4305/4885PIK3CD 160/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK SMN1; SMN2 4269/4885CYP2A13 4431/4885PIK3CD 179/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK SMN1; SMN2 4269/4885CYP2A13 4431/4885PIK3CD 179/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK SMN1; SMN2 4269/4885CYP2A13 4431/4885PIK3CD 179/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK SMN1; SMN2 4269/4885CYP2A13 4431/4885PIK3CD 179/4885

“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.