SCHEMBL13828313

SCHEMBL13828313

Cn1cnc2c(N3CCOCC3)nc(O)nc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.60
ADORA1 P30542 1/20 0.48
MTOR P42345 4/20 0.43
TLR7 Q9NYK1 2/20 0.42
HDAC1 Q13547 1/20 0.42
PIK3CG P48736 4/20 0.39
PDE10A Q9Y233 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CD O00329 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
STAT3 P40763 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
SCHEMBL13828334 0.85 ADORA1 (0.63) PIK3CAADORA1
SCHEMBL358366 0.83 PIK3CA (0.60) PIK3CAADORA1MTORTLR7HDAC1
SCHEMBL13828332 0.83 PIK3CA (0.71) PIK3CAADORA1MTORTLR7HDAC1
SCHEMBL30366120 0.83 PIK3CA (0.60) PIK3CAADORA1MTORTLR7HDAC1
SCHEMBL13828322 0.83 PIK3CA (0.60) PIK3CAADORA1MTORTLR7HDAC1
SCHEMBL24955551 0.83 PIK3CA (0.60) PIK3CAADORA1MTORTLR7HDAC1
SCHEMBL13828331 0.79 TLR7 (0.57) PIK3CAADORA1TLR7PDE10AMEN1
Hydrochloric Acid SCHEMBL7289112 0.77 PIK3CA (0.54) PIK3CAADORA1MTORTLR7HDAC1
SCHEMBL1114139 0.76 PIK3CA (1.00) PIK3CAMTORHDAC1PIK3CGPIK3CD
SCHEMBL1114174 0.73 PIK3CA (0.78) PIK3CAMTORHDAC1PIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
US-10322130-B2 Substituted chromenones as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-06-18 US disclosed
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-04-11 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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 (6 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-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CA 88/4885ADORA1 3736/4885MTOR 76/4885
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CA 88/4885ADORA1 3736/4885MTOR 76/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CA 88/4885ADORA1 3736/4885MTOR 76/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B PIK3CA 106/4885ADORA1 2543/4885MTOR 101/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PIK3CA 88/4885ADORA1 3736/4885MTOR 76/4885
US-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 PIK3CA 153/4885ADORA1 1449/4885MTOR 85/4885

“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.