SCHEMBL15434700

SCHEMBL15434700

CCCc1c(C)nc(N)nc1CC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.45
TLR7 Q9NYK1 7/20 0.45
NUDT1 P36639 1/20 0.39
HEXA P06865 3/20 0.39
HEXB P07686 3/20 0.39
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL15434725 0.85 TLR8 (0.49) TLR8TLR7NUDT1HEXAHEXB
SCHEMBL31051087 0.85 TLR8 (0.49) TLR8TLR7NUDT1HEXAHEXB
SCHEMBL9286486 0.85 TLR8 (0.52) TLR8TLR7NUDT1
SCHEMBL15434720 0.77 TLR8 (0.39) TLR8TLR7NUDT1HEXAHEXB
SCHEMBL8515321 0.76 NPSR1 (0.47) TLR8TLR7
SCHEMBL15508427 0.76 NPSR1 (0.46) TLR8TLR7NUDT1HEXAHEXB
SCHEMBL12705668 0.75 HEXA (0.44) TLR8TLR7HEXAHEXB
SCHEMBL9287308 0.75 TLR8 (0.55) TLR8TLR7NUDT1MAPK1
SCHEMBL9607432 0.74 TLR8 (0.41) TLR8TLR7HEXAHEXBHSP90AA1
SCHEMBL15508426 0.74 TLR8 (0.44) TLR8TLR7NUDT1HEXAHEXB

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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR TLR8 4503/4885TLR7 3901/4885NUDT1 3866/4885

“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.