SCHEMBL3096594

SCHEMBL3096594

O=C(Nc1cnc(-n2c(C(F)(F)F)nc3cc(O)ccc32)cn1)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.44
ORAI1 Q96D31 3/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RORC P51449 4/20 0.40
CRACR2A Q9BSW2 3/20 0.38
IL2 P60568 4/20 0.38
HCRTR1 O43613 1/20 0.37
EPHX2 P34913 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8062134 0.94 STIM1 (0.44) STIM1ORAI1ORAI3MEN1KMT2A
SCHEMBL3103841 0.90 MEN1 (0.40) STIM1ORAI1ORAI3MEN1KMT2A
SCHEMBL11940274 0.90 IL2 (0.41) STIM1ORAI1MEN1KMT2ARORC
SCHEMBL646344 0.89 RXRA (0.44) STIM1ORAI1MEN1KMT2ARORC
SCHEMBL3111761 0.88 LMNA (0.46) MEN1KMT2ARORCIL2
SCHEMBL14373602 0.88 MEN1 (0.39) STIM1ORAI1ORAI3MEN1KMT2A
SCHEMBL3097975 0.87 IL2 (0.39) STIM1ORAI1MEN1KMT2ARORC
SCHEMBL647154 0.87 RAB9A (0.43) MEN1KMT2ARORCCRACR2AIL2
SCHEMBL647102 0.87 IL2 (0.41) MEN1KMT2ARORCCRACR2AIL2
SCHEMBL13099813 0.86 RORC (0.37) STIM1ORAI1ORAI3MEN1KMT2A

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
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

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 STIM1 863/4885ORAI1 644/4885ORAI3 654/4885

“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.