SCHEMBL645388

SCHEMBL645388

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2c(F)cncc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.40
ORAI1 Q96D31 4/20 0.40
CACNA1D Q01668 1/20 0.34
BRD4 O60885 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LCK P06239 1/20 0.32
POLB P06746 1/20 0.31
RXRA P19793 1/20 0.31
PFKFB3 Q16875 1/20 0.31
PIK3CA P42336 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL647785 0.93 STIM1 (0.40) STIM1ORAI1CACNA1DBRD4ALDH1A1
SCHEMBL647646 0.90 STIM1 (0.38) STIM1ORAI1CACNA1DBRD4ALDH1A1
SCHEMBL646334 0.89 MAPT (0.36) STIM1ORAI1CACNA1DBRD4ALDH1A1
SCHEMBL647452 0.87 LCK (0.38) STIM1ORAI1ALDH1A1SMN1; SMN2MEN1
SCHEMBL647757 0.87 MAPT (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL647988 0.86 MAPT (0.38) ALDH1A1SMN1; SMN2HTTTSHRMEN1
SCHEMBL646800 0.86 MAPT (0.45) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL648068 0.86 MKNK1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL647190 0.86 STIM1 (0.38) STIM1ORAI1ALDH1A1HTTPOLB
SCHEMBL648004 0.86 PFKFB3 (0.39) STIM1ORAI1CACNA1DBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US claimed
US-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 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 (2 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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 STIM1 1728/4885ORAI1 1451/4885CACNA1D 2292/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 STIM1 1728/4885ORAI1 1451/4885CACNA1D 2292/4885

“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.