SCHEMBL6310022

SCHEMBL6310022

CSc1nc(N)nc(CN2CCN(CC=Cc3ccccc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 6/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 4/20 0.43
GAA P10253 3/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
GMNN O75496 1/20 0.43
ABCB11 O95342 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL6310015 1.00 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL6991083 0.83 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL6307171 0.75 GAA (0.50) ALDH1A1LMNAMAPK1GAAHTR1A
SCHEMBL6307060 0.74 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL2579539 0.72 LMNA (0.72) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL6314302 0.70 HSP90AA1 (0.41) ALDH1A1KMT2AMEN1MAPK1GAA
SCHEMBL6307905 0.69 CYBB (0.58) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL8558370 0.69 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL7261524 0.68 LMNA (0.62) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL5961390 0.68 SIGMAR1 (0.75) ALDH1A1LMNAKMT2AMEN1TSHR

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 ALDH1A1 399/4885LMNA 1603/4885KMT2A 3796/4885

“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.