SCHEMBL5032070

SCHEMBL5032070

NC(=O)c1ccc(-c2sc(-c3ncco3)cc2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.40
GSK3B P49841 1/20 0.38
BACE1 P56817 7/20 0.38
BACE2 Q9Y5Z0 5/20 0.38
APP P05067 2/20 0.36
TRPM4 Q8TD43 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
HPGDS O60760 1/20 0.32
MTOR P42345 1/20 0.31
CDC7 O00311 1/20 0.31
MAP4K4 O95819 1/20 0.31
IL2 P60568 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
SCHEMBL5033838 0.86 PRF1 (0.40) PRF1GSK3BBACE1BACE2APP
SCHEMBL5032075 0.83 PIK3CD (0.40) BACE1BACE2KMT2AHPGDSMAP4K4
SCHEMBL2816477 0.79 GSK3B (0.41) PRF1GSK3BBACE1BACE2APP
SCHEMBL5032080 0.74 IL2 (0.43) BACE1IL2
SCHEMBL5030805 0.74 IL2 (0.51) KMT2AIL2
SCHEMBL5033873 0.72 RAB9A (0.43) IL2
SCHEMBL5435249 0.72 RAB9A (0.41) KMT2AIL2
SCHEMBL14360792 0.72 POLB (0.42) BACE1BACE2KMT2AIL2
SCHEMBL2811908 0.71 PIK3CD (0.46) PRF1GSK3BAPPPDE4APDE4B
SCHEMBL8233548 0.71 IL2 (0.44) BACE1IL2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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 (1 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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 PRF1 519/4885GSK3B 1083/4885BACE1 1374/4885

“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.