SCHEMBL5027355

SCHEMBL5027355

O=C(Nc1ccc(-c2csc(-c3ccoc3)c2)cc1)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
DYRK1B Q9Y463 1/20 0.45
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
HTT P42858 1/20 0.43
NOD2 Q9HC29 1/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IL2 P60568 7/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 3/20 0.40
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
ROCK2 O75116 2/20 0.40
RPS6KA5 O75582 2/20 0.40
PRKD3 O94806 2/20 0.40

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
SCHEMBL5030878 0.80 IL2 (0.46) JAK2JAK1TYK2HTTNOD2
SCHEMBL5030926 0.80 IL2 (0.53) DYRK1ADYRK1BJAK2JAK1TYK2
SCHEMBL5032081 0.78 IL2 (0.56) DYRK1ADYRK1BJAK2JAK1TYK2
SCHEMBL13640641 0.75 IL2 (0.44) DYRK1AJAK2IL2MEN1KMT2A
SCHEMBL5033885 0.74 ABL1 (0.58) JAK2JAK1TYK2HTTNOD2
SCHEMBL5030846 0.69 ABL1 (0.46) JAK2JAK1TYK2HTTNOD2
SCHEMBL5032061 0.69 ABL1 (0.48) JAK2JAK1TYK2HTTNOD2
SCHEMBL30739821 0.67 JAK2 (0.69) JAK2JAK1TYK2HTTNOD2
SCHEMBL2314424 0.66 MEN1 (0.53) JAK2JAK1TYK2HTTNOD2
SCHEMBL30739749 0.66 JAK2 (0.71) JAK2JAK1TYK2HTTNOD2

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
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
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US 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 DYRK1A 2498/4885DYRK1B 2890/4885JAK2 408/4885

“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.