SCHEMBL6308795

SCHEMBL6308795

CCN(CC)CCN(CC)Cc1nc(N)nc(SC)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.42
HSP90AA1 P07900 7/20 0.39
PTPRF P10586 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTPN11 Q06124 1/20 0.38
TLR8 Q9NR97 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6307180 0.75 HSP90AA1 (0.57) HSP90AB1HSP90AA1
SCHEMBL6309367 0.68 HSP90AB1 (0.39) HSP90AB1HSP90AA1
SCHEMBL3631158 0.67 HSP90AB1 (0.71) HSP90AB1HSP90AA1
SCHEMBL8071682 0.67 HSP90AB1 (0.71) HSP90AB1HSP90AA1
SCHEMBL5075028 0.67 MAPT (0.49) HSP90AB1HSP90AA1HTT
SCHEMBL6308343 0.67 HSP90AB1 (0.48) HSP90AB1HSP90AA1
SCHEMBL24831529 0.66 MEN1 (0.36) HTT
SCHEMBL6315112 0.65 HSP90AA1 (0.52) HSP90AB1HSP90AA1
SCHEMBL6315157 0.65 HSP90AA1 (0.60) HSP90AB1HSP90AA1
SCHEMBL7054559 0.65 HSP90AB1 (0.46) HSP90AB1HSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 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-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 HSP90AB1 1191/4885HSP90AA1 1676/4885PTPRF 3880/4885

“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.