SCHEMBL3529265

SCHEMBL3529265

Nc1ncc(CN2CCC3(CC2)OCCO3)c2scc(Br)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ADK P55263 1/20 0.33
PARP1 P09874 1/20 0.31
EPHB4 P54760 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP2C19 P33261 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL3531197 0.84 SMN1; SMN2 (0.44) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL3530161 0.80 KDM4E (0.40) KDM4EGAAEPHB4
SCHEMBL3528999 0.72 FGFR1 (0.38) ALDH1A1KDM4E
SCHEMBL3531469 0.69 EPHB4 (0.36) HTTEPHB4
SCHEMBL3530064 0.64 ALDH1A1 (0.34) HPGDALDH1A1KDM4ETSHRHTT
SCHEMBL4609446 0.64 HRH3 (0.50) HPGDALDH1A1TSHRSMN1; SMN2HRH3
SCHEMBL6245643 0.63 ALOX15 (0.59) ALDH1A1TSHRSMN1; SMN2CYP2C19
SCHEMBL3526550 0.61 EPHB4 (0.39) HTTEPHB4
SCHEMBL3525389 0.61 EPHB4 (0.39) HPGDALDH1A1KDM4EGAAHTT
SCHEMBL9898012 0.60 CHEK1 (0.40) ALDH1A1KDM4EGAATSHRHTT

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 8 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
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (4 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK HPGD 1092/4885ALDH1A1 1899/4885KDM4E 1041/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK HPGD 1092/4885ALDH1A1 1899/4885KDM4E 1041/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK HPGD 1092/4885ALDH1A1 1899/4885KDM4E 1041/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK HPGD 1092/4885ALDH1A1 1899/4885KDM4E 1041/4885

“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.