SCHEMBL647015

SCHEMBL647015

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C2CCCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.47
ABL1 P00519 4/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PIK3CA P42336 1/20 0.41
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.39
HPGDS O60760 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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 0.99 ABL1 (0.48) ADORA3ABL1MEN1KMT2APIK3CA
SCHEMBL646571 0.97 ABL1 (0.48) ADORA3ABL1MEN1KMT2APIK3CA
SCHEMBL647037 0.95 ABL1 (0.52) ADORA3ABL1KMT2AGSK3BHSD17B10
SCHEMBL8236750 0.88 GAA (0.41) ABL1KMT2AGSK3BALDH1A1KDM4E
SCHEMBL2092674 0.87 ABL1 (0.48) ADORA3ABL1MEN1KMT2APIK3CA
SCHEMBL2093667 0.85 ABL1 (0.48) ADORA3ABL1MEN1KMT2AGSK3B
SCHEMBL647637 0.84 SMN1; SMN2 (0.44) ADORA3TP53MTNR1AMTNR1B
SCHEMBL646580 0.84 DEGS1 (0.45) ADORA3ABL1MEN1KMT2AGSK3B
SCHEMBL8228733 0.83 ABL1 (0.37) ABL1PIK3CAGSK3B
SCHEMBL645421 0.83 PIK3CA (0.39) MEN1KMT2APIK3CAALDH1A1HTT

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 ADORA3 812/4885ABL1 3611/4885MEN1 4248/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ADORA3 812/4885ABL1 3611/4885MEN1 4248/4885

“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.