SCHEMBL16280668

SCHEMBL16280668

CC(C)Nc1nc(NC2CCCCC2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.62
PDE5A O76074 2/20 0.61
ACP1 P24666 2/20 0.61
OGG1 O15527 1/20 0.61
MERTK Q12866 6/20 0.60
WHR1 P49842 1/20 0.60
TLR7 Q9NYK1 2/20 0.59
APP P05067 2/20 0.56
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
GBA1 P04062 2/20 0.54
GRK6 P43250 1/20 0.53
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL24649614 0.87 NPY5R (0.79) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL27224044 0.82 MERTK (0.81) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL14256586 0.81 MERTK (0.49) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL24649760 0.80 ACP1 (0.68) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL24649772 0.80 NPY5R (0.64) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL30896233 0.80 NPY5R (0.64) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL24649781 0.78 CXCR4 (0.63) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL30896224 0.78 CXCR4 (0.63) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL30455430 0.77 WHR1 (0.62) NPY5RWHR1APPBCHEACHE
SCHEMBL11732536 0.77 ACP1 (0.68) NPY5RPDE5AACP1OGG1MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2015-03-19 US disclosed
US-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2015-03-19 US disclosed
US-8906918-B1 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2014-12-09 US disclosed
US-8906918-B1 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION) (US) 2014-12-09 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-20150080409-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT SYNCRIP, HNMT, IL5 NPY5R 237/4885PDE5A 106/4885ACP1 2316/4885

“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.