SCHEMBL646799

SCHEMBL646799

COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2ccncc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
RXRA P19793 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RORC P51449 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
BDKRB1 P46663 4/20 0.35
KIF11 P52732 2/20 0.35
IDH1 O75874 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL646474 0.92 RXRA (0.39) RXRAKDM4EPPARGNR1H3KIF11
SCHEMBL647040 0.90 KIF11 (0.41) RXRAKDM4ETHRBBDKRB1KIF11
SCHEMBL645950 0.89 IDH1 (0.38) RXRAKDM4EPPARGNR1H3BDKRB1
SCHEMBL647190 0.89 STIM1 (0.38) RXRAKDM4ERORCPPARGNR1H3
SCHEMBL648744 0.88 VNN1 (0.41) RXRAKDM4EPPARGNR1H3BDKRB1
SCHEMBL646768 0.88 IDH1 (0.38) RXRAKDM4EPPARGNR1H3KIF11
SCHEMBL646334 0.87 MAPT (0.36) KDM4E
SCHEMBL648476 0.86 GABRA5 (0.38) RXRAKDM4ERORCPPARGNR1H3
SCHEMBL648000 0.85 ALOX15 (0.39) RXRAKDM4ERORCPPARGNR1H3
SCHEMBL646764 0.85 ABL1 (0.42) RXRAKDM4EPPARGNR1H3KIF11

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 NAMPT 1846/4885RXRA 600/4885KDM4E 900/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 NAMPT 1846/4885RXRA 600/4885KDM4E 900/4885

“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.