SCHEMBL647082

SCHEMBL647082

CCC(C)CNc1cnc(-n2c(C(F)(F)F)nc3cc(OC)ccc32)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.43
TDP1 Q9NUW8 1/20 0.35
CACNA1D Q01668 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXRA P19793 3/20 0.33
HTT P42858 2/20 0.33
ACSS2 Q9NR19 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL645924 0.87 ALDH1A1 (0.39) BRD4TDP1CACNA1DALDH1A1SMN1; SMN2
SCHEMBL649499 0.86 RXRA (0.40) BRD4TDP1CACNA1DALDH1A1SMN1; SMN2
SCHEMBL5434569 0.85 RXRA (0.41) BRD4TDP1CACNA1DALDH1A1SMN1; SMN2
SCHEMBL647757 0.84 MAPT (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL647759 0.83 NPC1 (0.43) BRD4ALDH1A1SMN1; SMN2RXRAHTT
SCHEMBL646879 0.82 FYN (0.38) BRD4CACNA1DALDH1A1SMN1; SMN2JAK2
SCHEMBL648241 0.82 RAB9A (0.44) ALDH1A1SMN1; SMN2HTTACSS2MEN1
SCHEMBL646800 0.81 MAPT (0.45) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL645597 0.81 MEN1 (0.44) TDP1ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL648068 0.81 MKNK1 (0.38) ALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRD4 521/4885TDP1 4113/4885CACNA1D 2292/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 BRD4 521/4885TDP1 4113/4885CACNA1D 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.