SCHEMBL1610889

SCHEMBL1610889

CCn1c(I)nc2c(N3CCOCC3C)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.45
PIK3CD O00329 5/20 0.37
PIK3CA P42336 5/20 0.37
PDE4D Q08499 3/20 0.35
ATR Q13535 2/20 0.35
CYP3A4 P08684 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL1610886 1.00 MTOR (0.45) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL25279339 0.86 MTOR (0.45) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1613240 0.85 MTOR (0.47) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1613242 0.85 MTOR (0.47) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1611967 0.84 MTOR (0.44) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1611964 0.84 MTOR (0.44) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1612053 0.82 MTOR (0.42) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1612578 0.82 MTOR (0.42) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1612580 0.82 MTOR (0.42) MTORPIK3CDPIK3CAPDE4DATR
SCHEMBL1612056 0.82 MTOR (0.42) MTORPIK3CDPIK3CAPDE4DATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498780-B1 N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-09-07 EP disclosed
US-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE 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-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B MTOR 3111/4885PIK3CD 2190/4885PIK3CA 1026/4885

“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.