SCHEMBL9609033

SCHEMBL9609033

Nc1cnc(N[C@@H]2CCCc3ccccc32)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1A P35348 2/20 0.48
HDAC6 Q9UBN7 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.44
AURKA O14965 2/20 0.43
RPS6KB1 P23443 2/20 0.43
AURKB Q96GD4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PFKFB3 Q16875 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL9609035 0.79 KDM4E (0.51) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL21821538 0.73 LMNA (0.60) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL3564108 0.72 LMNA (0.55) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL17395280 0.71 LMNA (0.55) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15286477 0.71 LMNA (0.55) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL3205734 0.71 LMNA (0.51) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL1552289 0.71 LMNA (0.51) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL1551936 0.71 LMNA (0.51) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL1095088 0.71 LMNA (0.51) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL2569953 0.71 LMNA (0.45) LMNAADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS LMNA 2061/4885ADRA2A 4868/4885ADRA2B 4807/4885

“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.