SCHEMBL646756

SCHEMBL646756

CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
RXRA P19793 4/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
MAPT P10636 5/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
DGAT1 O75907 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL645379 0.92 CRACR2A (0.38) EPHX2RXRAPPARGNR1H3ACSS2
SCHEMBL647969 0.92 NPC1 (0.38) EPHX2RXRAMAPTRAB9ANPC1
SCHEMBL645898 0.90 SMN1; SMN2 (0.41) RXRAPPARGNR1H3ACSS2MAPT
SCHEMBL649245 0.87 STING1 (0.40) EPHX2RXRAPPARGNR1H3ACSS2
SCHEMBL649249 0.86 RXRA (0.39) EPHX2RXRAPPARGNR1H3KDM4E
SCHEMBL646780 0.85 TP53 (0.38) EPHX2MAPTRAB9ANPC1TP53
SCHEMBL13838317 0.85 NPC1 (0.38) EPHX2RXRAMAPTRAB9ANPC1
SCHEMBL646791 0.85 NPC1 (0.40) RXRAPPARGNR1H3ACSS2RAB9A
SCHEMBL8228715 0.85 RXRA (0.38) EPHX2RXRAPPARGNR1H3MAPT
SCHEMBL647840 0.85 CHRNA7 (0.39) RXRAPPARGNR1H3ACSS2MAPT

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 11 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-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 EPHX2 2356/4885RXRA 600/4885PPARG 530/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 EPHX2 2356/4885RXRA 600/4885PPARG 530/4885

“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.