SCHEMBL6309367

SCHEMBL6309367

CSc1nc(N)nc(CN(C2CCCCC2)C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 6/20 0.36
HRH4 Q9H3N8 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL6307917 0.68 HSP90AB1 (0.46) HSP90AB1CYP2C19HSP90AA1HRH4CYP2C9
SCHEMBL6308795 0.68 HSP90AB1 (0.42) HSP90AB1HSP90AA1
SCHEMBL6314269 0.66 L3MBTL1 (0.44) L3MBTL1ALDH1A1HSP90AA1HRH3
SCHEMBL6307180 0.66 HSP90AA1 (0.57) HSP90AB1HSP90AA1
SCHEMBL6314302 0.65 HSP90AA1 (0.41) HSP90AB1L3MBTL1CYP2D6ALDH1A1HSP90AA1
SCHEMBL8071682 0.64 HSP90AB1 (0.71) HSP90AB1HSP90AA1
SCHEMBL3631158 0.64 HSP90AB1 (0.71) HSP90AB1HSP90AA1
SCHEMBL6308343 0.64 HSP90AB1 (0.48) HSP90AB1ALDH1A1HSP90AA1
SCHEMBL19917182 0.63 ABCB1 (0.32)
SCHEMBL10897011 0.63 MEN1 (0.47) HSP90AB1CYP2C19HSP90AA1HRH4CYP2C9

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 1191/4885L3MBTL1 915/4885CYP2D6 1350/4885

“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.