SCHEMBL3524068

SCHEMBL3524068

Cc1sc2c([N+](=O)[O-])cnc(NC(=O)OC(C)(C)C)c2c1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.35
▸ LCK P06239 7/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MITF O75030 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL3531148 0.82 LCK (0.36) LCKAAK1CA1CA2
SCHEMBL857380 0.75 AAK1 (0.42) PRMT1LCKALDH1A1MAPTSMN1; SMN2
SCHEMBL3532503 0.73 NAMPT (0.45) MEN1ALDH1A1MAPTKMT2A
SCHEMBL3530587 0.71 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL15615680 0.70 MAPT (0.41) PRMT1LCKMEN1ALDH1A1MAPT
SCHEMBL30469809 0.70 CYP2C19 (0.42) PRMT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22775634 0.70 PRMT1 (0.38) PRMT1MAPTSMN1; SMN2AAK1
SCHEMBL29995208 0.70 PRMT1 (0.40) PRMT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6519773 0.70 CYP2C19 (0.42) PRMT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18138246 0.70 PRMT1 (0.41) PRMT1MEN1ALDH1A1MAPTKMT2A

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 9 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
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 PRMT1 778/4885LCK 12/4885MEN1 2198/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK PRMT1 704/4885LCK 3/4885MEN1 2197/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK PRMT1 704/4885LCK 3/4885MEN1 2197/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK PRMT1 704/4885LCK 3/4885MEN1 2197/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK PRMT1 704/4885LCK 3/4885MEN1 2197/4885

“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.

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