SCHEMBL1608736

SCHEMBL1608736

CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3C)c3ncn(CC)c3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 1.00
PIK3CA P42336 8/20 1.00
PIK3CD O00329 6/20 1.00
KCNH2 Q12809 1/20 0.64
RICTOR Q6R327 1/20 0.64
RPTOR Q8N122 1/20 0.64
MAPKAP1 Q9BPZ7 1/20 0.64
MLST8 Q9BVC4 1/20 0.64

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
SCHEMBL1608733 1.00 MTOR (1.00) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1609143 0.91 MTOR (1.00) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1609139 0.91 MTOR (1.00) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1608136 0.88 MTOR (1.00) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1608129 0.88 MTOR (1.00) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1611688 0.83 MTOR (0.71) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1611684 0.83 MTOR (0.71) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1613555 0.82 MTOR (0.76) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1613558 0.82 MTOR (0.76) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL1612662 0.82 MTOR (0.69) MTORPIK3CAPIK3CDKCNH2RICTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499143-B1 N7-SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
EP-2499143-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011058025-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP MTOR 3024/4885PIK3CA 889/4885PIK3CD 2269/4885

“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.