SCHEMBL8380545

SCHEMBL8380545

CCn1ncc2c(C3=CCOCC3)nc(-c3ccc(N)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.56
PIK3CA P42336 18/20 0.56
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.34
MAPK14 Q16539 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34

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
SCHEMBL4175893 0.87 MTOR (0.70) MTORPIK3CAHDAC3HDAC1HDAC2
SCHEMBL4181215 0.74 PIK3CA (0.82) MTORPIK3CAPIK3CD
SCHEMBL7876645 0.74 PIK3CA (0.85) MTORPIK3CAPIK3CD
SCHEMBL4183872 0.73 PIK3CA (0.85) MTORPIK3CAPIK3CD
SCHEMBL7963610 0.73 PIK3CA (0.46) MTORPIK3CAPIK3CDMAPK14
SCHEMBL4170322 0.73 PIK3CA (1.00) MTORPIK3CAPIK3CD
SCHEMBL4187870 0.72 PIK3CA (0.83) MTORPIK3CAPIK3CD
SCHEMBL4172681 0.72 PIK3CA (0.58) MTORPIK3CAPIK3CD
SCHEMBL4020397 0.72 PIK3CA (0.46) MTORPIK3CAADORA2AADORA1PIK3CD
SCHEMBL4173217 0.71 MTOR (0.79) MTORPIK3CAPIK3CD

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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885ADORA3 182/4885

“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.