SCHEMBL5029396

SCHEMBL5029396

Cc1cc(-c2nnco2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 8/20 0.48
STIM1 Q13586 3/20 0.40
ORAI1 Q96D31 3/20 0.40
ORAI2 Q96SN7 1/20 0.40
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KAT6A Q92794 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5030780 0.96 IL2 (0.45) IL2STIM1ORAI1ORAI2JAK1
SCHEMBL5436570 0.93 IL2 (0.41) IL2STIM1ORAI1ORAI2JAK1
SCHEMBL8233126 0.89 IL2 (0.38) IL2STIM1ORAI1ORAI2JAK1
SCHEMBL5032016 0.86 IL2 (0.57) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5027368 0.85 IL2 (0.43) IL2STIM1ORAI1JAK1TYK2
SCHEMBL5029603 0.84 IL2 (0.53) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL451062 0.83 IL2 (0.62) IL2
SCHEMBL5029747 0.83 IL2 (0.54) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL8236369 0.82 LMNA (0.39) NPC1RAB9AGAAPKMKDM4E
SCHEMBL5029467 0.82 ABCB1 (0.38) IL2NPC1RAB9ATP53SMN1; SMN2

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 4 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
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 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 (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 IL2 55/4885STIM1 1999/4885ORAI1 1948/4885

“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.