SCHEMBL5032075

SCHEMBL5032075

Nc1ccc(-c2sc(-c3ncco3)cc2Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.40
BACE1 P56817 7/20 0.39
BACE2 Q9Y5Z0 5/20 0.39
LTA4H P09960 2/20 0.38
MAP4K4 O95819 2/20 0.36
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
HPGDS O60760 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
EPX P11678 1/20 0.34
LPO P22079 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL5033841 0.84 ESR1 (0.37) PIK3CDBACE1BACE2LTA4HMAP4K4
SCHEMBL5032070 0.83 PRF1 (0.40) BACE1BACE2MAP4K4HPGDSKMT2A
SCHEMBL2816478 0.76 MAP4K4 (0.43) PIK3CDBACE1BACE2LTA4HMAP4K4
SCHEMBL5030805 0.73 IL2 (0.51) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5032080 0.73 IL2 (0.43) BACE1ALDH1A1NPC1RAB9A
SCHEMBL5033873 0.71 RAB9A (0.43) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL5435249 0.71 RAB9A (0.41) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL1771610 0.71 CCNK (0.47) PIK3CDLTA4HMAP4K4CYP1A2KCNH2
SCHEMBL5032077 0.70 ESR1 (0.42) BACE1BACE2LTA4HHPGDSKDM4E
SCHEMBL5033838 0.69 PRF1 (0.40) PIK3CDBACE1BACE2KDM4EALDH1A1

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 7 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
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 PIK3CD 2778/4885BACE1 1374/4885BACE2 1940/4885

“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.