SCHEMBL2061500

SCHEMBL2061500

COc1ccc(N)c(NS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 2/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
KEAP1 Q14145 1/20 0.44
PIK3CG P48736 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP19A1 P11511 1/20 0.43
PTK2 Q05397 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
BRD4 O60885 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL26906975 0.86 PTGS1 (0.48) ALDH1A1CYP3A4PTGS1PTGS2MAPK1
SCHEMBL5762577 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1LMNAGAA
SCHEMBL11573997 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPK1LMNAGAA
SCHEMBL4792308 0.79 MAPK1 (0.49) ALDH1A1PTGS1PTGS2MAPK1LMNA
SCHEMBL6811951 0.79 ADRB3 (0.59)
SCHEMBL30293256 0.77 FFAR4 (0.56) PTGS1PTGS2MAPK1LMNAGAA
SCHEMBL2760304 0.77 FFAR4 (0.56) PTGS1PTGS2MAPK1LMNAGAA
SCHEMBL30505761 0.77 ALDH1A1 (0.53) ALDH1A1PTGS1PTGS2MAPK1LMNA
SCHEMBL19420697 0.77 TP53 (0.45) CYP3A4PTGS1PTGS2LMNAKEAP1
SCHEMBL1131363 0.76 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1LMNAGAA

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
WO-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 WO disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 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 (2 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALDH1A1 77/4885CYP3A4 1129/4885PTGS1 3479/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885CYP3A4 1129/4885PTGS1 3479/4885

“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.