SCHEMBL645940

SCHEMBL645940

COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(F)ccc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.37
IL2 P60568 1/20 0.37
RXRA P19793 4/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AHR P35869 1/20 0.35
PPARG P37231 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ABCB1 P08183 1/20 0.34
HPGD P15428 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
SCHEMBL647445 0.93 IDH1 (0.37) IDH1RXRAKDM4EAHRPPARG
SCHEMBL8236524 0.92 IL2 (0.36) IL2RXRAAHRPPARGNR1H3
SCHEMBL648270 0.91 ALDH1A1 (0.43) RXRAKDM4EHPGD
SCHEMBL646892 0.89 CSNK1D (0.40) IL2AHRABCB1
SCHEMBL646179 0.89 F10 (0.39) RXRAKDM4ECYP11B2
SCHEMBL8236393 0.88 IL2 (0.41) IL2RXRAKDM4EAHR
SCHEMBL647852 0.88 CRACR2A (0.38) IDH1IL2RXRAKDM4EPPARG
SCHEMBL645412 0.87 RXRA (0.37) IDH1RXRAKDM4EPPARGNR1H3
SCHEMBL647102 0.86 IL2 (0.41) IL2RXRAKDM4E
SCHEMBL647099 0.86 RXRA (0.37) IDH1IL2RXRAKDM4EPPARG

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-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 IDH1 2144/4885IL2 44/4885RXRA 600/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 IDH1 2144/4885IL2 44/4885RXRA 600/4885

“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.