SCHEMBL3097975

SCHEMBL3097975

CN(C)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL2 P60568 8/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 3/20 0.38
CRACR2A Q9BSW2 1/20 0.36
STIM1 Q13586 2/20 0.36
ORAI1 Q96D31 2/20 0.36
ORAI2 Q96SN7 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
RAB9A P51151 1/20 0.36
TRPA1 O75762 1/20 0.35
HCRTR1 O43613 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL11940274 0.88 IL2 (0.41) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL3096594 0.87 STIM1 (0.44) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL3103841 0.86 MEN1 (0.40) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL647154 0.86 RAB9A (0.43) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL646344 0.86 RXRA (0.44) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL647102 0.85 IL2 (0.41) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL14373602 0.85 MEN1 (0.39) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL13099813 0.84 RORC (0.37) IL2MEN1KMT2ARORCCRACR2A
SCHEMBL648215 0.84 MEN1 (0.40) IL2MEN1KMT2ARORCNPC1
SCHEMBL3111761 0.83 LMNA (0.46) IL2MEN1KMT2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US claimed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US claimed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
WO-2009038775-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-03-26 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-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, IL5, NLRP1 IL2 9/4885MEN1 4437/4885KMT2A 3405/4885

“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.