SCHEMBL646066

SCHEMBL646066

CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2c(F)cncc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.37
RXRA P19793 4/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
IL2 P60568 1/20 0.35
DHODH Q02127 1/20 0.34
MAPT P10636 3/20 0.34
ABL1 P00519 1/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.34
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CHEK1 O14757 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL648215 0.93 MEN1 (0.40) ACSS2RXRAPPARGNR1H3IL2
SCHEMBL648258 0.91 STIM1 (0.36) ACSS2RXRASTIM1ORAI1IL2
SCHEMBL646538 0.91 RET (0.38) ACSS2RXRAPPARGNR1H3DHODH
SCHEMBL645379 0.89 CRACR2A (0.38) ACSS2RXRAPPARGNR1H3STIM1
SCHEMBL646791 0.87 NPC1 (0.40) ACSS2RXRAPPARGNR1H3ABL1
SCHEMBL647840 0.87 CHRNA7 (0.39) ACSS2RXRAPPARGNR1H3IL2
SCHEMBL647758 0.87 CHRNA7 (0.36) ACSS2RXRAPPARGNR1H3DHODH
SCHEMBL5131167 0.86 CRACR2A (0.38) ACSS2RXRAPPARGNR1H3DHODH
SCHEMBL647099 0.85 RXRA (0.37) RXRAPPARGNR1H3STIM1ORAI1
SCHEMBL646478 0.85 ALDH1A1 (0.38) ACSS2RXRAPPARGNR1H3MAPT

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 ACSS2 2207/4885RXRA 600/4885PPARG 530/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ACSS2 2207/4885RXRA 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.