SCHEMBL15434718

SCHEMBL15434718

Cc1nc(N)nc(C)c1CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.42
TLR7 Q9NYK1 6/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NUDT1 P36639 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 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
SCHEMBL15508400 0.84 NPSR1 (0.49) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL15429565 0.81 ALDH1A1 (0.38) TLR8TLR7KDM4EALDH1A1LMNA
SCHEMBL10735986 0.78 KDM4E (0.37) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL17229375 0.76 KDM4E (0.42) TLR8TLR7KDM4EALDH1A1LMNA
SCHEMBL9287308 0.76 TLR8 (0.55) TLR8TLR7KDM4EALDH1A1LMNA
SCHEMBL1684911 0.75 TLR8 (0.44) TLR8TLR7KDM4EALDH1A1LMNA
SCHEMBL31042173 0.74 ALDH1A1 (0.35) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL17221762 0.74 TLR8 (0.43) TLR8TLR7KDM4EALDH1A1LMNA
SCHEMBL10379029 0.72 DHFR (0.37)
SCHEMBL2815642 0.72 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10

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 3901/4885KDM4E 223/4885

“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.