SCHEMBL20186871

SCHEMBL20186871

CC(N)c1cccc(-c2cnn(C)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 12/20 0.52
IRAK4 Q9NWZ3 4/20 0.47
IRAK1 P51617 1/20 0.47
DYRK1A Q13627 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL18228215 1.00 PFKFB3 (0.52) PFKFB3IRAK4IRAK1DYRK1APIK3CD
SCHEMBL31456988 1.00 PFKFB3 (0.52) PFKFB3IRAK4IRAK1DYRK1APIK3CD
SCHEMBL30952714 0.88 PFKFB3 (0.49) PFKFB3IRAK4IRAK1DYRK1A
SCHEMBL14870415 0.87 PFKFB3 (0.57) PFKFB3IRAK4IRAK1DYRK1A
Hydrochloric Acid SCHEMBL30806069 0.81 PFKFB3 (0.41) PFKFB3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL19604964 0.80 GPR55 (0.48) PFKFB3DYRK1APIK3CDPIK3CAPIK3CB
SCHEMBL16089005 0.80 GPR55 (0.48) PFKFB3DYRK1APIK3CDPIK3CAPIK3CB
SCHEMBL12453539 0.80 GPR55 (0.48) PFKFB3DYRK1APIK3CDPIK3CAPIK3CB
SCHEMBL18239336 0.79 MKNK1 (0.50) PFKFB3DYRK1APIK3CDPIK3CAPIK3CB
SCHEMBL18228546 0.79 MKNK1 (0.50) PFKFB3DYRK1APIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 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 (1 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 PFKFB3 1161/4885IRAK4 1577/4885IRAK1 1912/4885

“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.