SCHEMBL648476

SCHEMBL648476

COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2c(F)cccc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXRA P19793 4/20 0.38
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
KIF11 P52732 3/20 0.36
IDH1 O75874 3/20 0.36
RORC P51449 1/20 0.36
BDKRB1 P46663 2/20 0.35
FGFR1 P11362 1/20 0.35
ACSS2 Q9NR19 1/20 0.35

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
SCHEMBL647190 0.93 STIM1 (0.38) GABRA5STIM1ORAI1KDM4ERXRA
SCHEMBL647036 0.92 RXRA (0.37) GABRA5KDM4ERXRAPPARGNR1H3
SCHEMBL647040 0.91 KIF11 (0.41) KDM4ERXRAKIF11IDH1BDKRB1
SCHEMBL4072877 0.87 RXRA (0.38) KDM4ERXRAPPARGNR1H3KIF11
SCHEMBL646768 0.87 IDH1 (0.38) GABRA5KDM4ERXRAPPARGNR1H3
SCHEMBL645950 0.87 IDH1 (0.38) KDM4ERXRAPPARGNR1H3IDH1
SCHEMBL647785 0.86 STIM1 (0.40) STIM1ORAI1ACSS2
SCHEMBL646799 0.86 NAMPT (0.37) KDM4ERXRAPPARGNR1H3KIF11
SCHEMBL646764 0.86 ABL1 (0.42) GABRA5KDM4ERXRAPPARGNR1H3
SCHEMBL647102 0.85 IL2 (0.41) KDM4ERXRARORCFGFR1

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 GABRA5 558/4885STIM1 1728/4885ORAI1 1451/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 GABRA5 558/4885STIM1 1728/4885ORAI1 1451/4885

“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.