SCHEMBL5030853

SCHEMBL5030853

Cc1sc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.50
STIM1 Q13586 3/20 0.42
ORAI1 Q96D31 3/20 0.42
ORAI2 Q96SN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5030860 0.95 IL2 (0.48) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL5030830 0.92 IL2 (0.42) IL2STIM1ORAI1ORAI2KDM4E
SCHEMBL13640688 0.91 IL2 (0.42) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL5029752 0.88 IL2 (0.41) IL2STIM1ORAI1ORAI2KDM4E
SCHEMBL5030870 0.88 IL2 (0.49) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL2885792 0.86 IL2 (0.54) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL5027253 0.85 IL2 (0.45) IL2STIM1ORAI1KDM4ENPC1
SCHEMBL5029737 0.84 STIM1 (0.48) IL2STIM1ORAI1ORAI2L3MBTL1
SCHEMBL2891563 0.83 IL2 (0.49) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL2817819 0.83 IL2 (0.65) IL2

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
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 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
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 (3 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-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885STIM1 924/4885ORAI1 729/4885
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 IL2 55/4885STIM1 1999/4885ORAI1 1948/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 IL2 23/4885STIM1 934/4885ORAI1 1269/4885

“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.