SCHEMBL646879

SCHEMBL646879

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.38
AOC3 Q16853 1/20 0.37
PIK3CA P42336 1/20 0.37
JAK1 P23458 4/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 1/20 0.37
AURKB Q96GD4 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
IDH1 O75874 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CACNA1D Q01668 1/20 0.35
PDE10A Q9Y233 1/20 0.35
BRD4 O60885 2/20 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
SCHEMBL647896 0.96 PIK3CA (0.38) FYNAOC3PIK3CAJAK1JAK2
SCHEMBL647110 0.96 PIK3CA (0.40) FYNAOC3PIK3CAJAK1JAK2
SCHEMBL645421 0.95 PIK3CA (0.39) FYNAOC3PIK3CAJAK1JAK2
SCHEMBL645924 0.85 ALDH1A1 (0.39) FYNCACNA1DBRD4ALDH1A1SMN1; SMN2
SCHEMBL649499 0.85 RXRA (0.40) CACNA1DBRD4ALDH1A1SMN1; SMN2
SCHEMBL647757 0.85 MAPT (0.43) ALDH1A1SMN1; SMN2
SCHEMBL5434569 0.84 RXRA (0.41) CACNA1DBRD4ALDH1A1SMN1; SMN2
SCHEMBL8228712 0.83 MEN1 (0.39) AOC3JAK1JAK2AURKBIDH1
SCHEMBL648241 0.83 RAB9A (0.44) ALDH1A1SMN1; SMN2
SCHEMBL648068 0.82 MKNK1 (0.38) ADORA2AADORA1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FYN 1779/4885AOC3 1412/4885PIK3CA 2294/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 FYN 1779/4885AOC3 1412/4885PIK3CA 2294/4885

“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.