SCHEMBL646571

SCHEMBL646571

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C2CCC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.48
ADORA3 P0DMS8 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GSK3B P49841 2/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
MAPT P10636 2/20 0.39
PIK3CA P42336 1/20 0.39
TP53 P04637 1/20 0.39
DYRK1A Q13627 1/20 0.38

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
SCHEMBL645418 0.98 ABL1 (0.48) ABL1ADORA3KMT2AMEN1GSK3B
SCHEMBL647015 0.97 ADORA3 (0.47) ABL1ADORA3KMT2AMEN1GSK3B
SCHEMBL647037 0.96 ABL1 (0.52) ABL1ADORA3KMT2AGSK3BMAPT
SCHEMBL2093667 0.88 ABL1 (0.48) ABL1ADORA3KMT2AMEN1GSK3B
SCHEMBL2092674 0.86 ABL1 (0.48) ABL1ADORA3KMT2AMEN1GSK3B
SCHEMBL8236750 0.85 GAA (0.41) ABL1KMT2AGSK3BDYRK1A
SCHEMBL646580 0.84 DEGS1 (0.45) ABL1ADORA3KMT2AMEN1GSK3B
SCHEMBL647637 0.84 SMN1; SMN2 (0.44) ADORA3MTNR1AMTNR1BTP53DYRK1A
SCHEMBL8228733 0.84 ABL1 (0.37) ABL1GSK3BPIK3CADYRK1A
SCHEMBL646895 0.84 HPGDS (0.41) MAPTTP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ABL1 3611/4885ADORA3 812/4885KMT2A 3225/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ABL1 3611/4885ADORA3 812/4885KMT2A 3225/4885

“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.