SCHEMBL25656122

SCHEMBL25656122

CCOC(=O)c1cnc2cc(C)c(C)cc2c1N1CCCNCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
PDE4B Q07343 1/20 0.54
MAPK10 P53779 1/20 0.53
ALDH1A1 P00352 2/20 0.52
DYRK1A Q13627 2/20 0.52
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.47
PDGFRB P09619 1/20 0.45
ADORA1 P30542 1/20 0.45
PKM P14618 1/20 0.45
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45

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
SCHEMBL29055040 0.89 PDGFRB (0.58) MEN1KMT2APDE4BMAPK10ALDH1A1
Hydrochloric Acid SCHEMBL23726881 0.88 PDGFRB (0.57) MEN1KMT2APDE4BMAPK10ALDH1A1
Hydrochloric Acid SCHEMBL30080064 0.88 PDGFRB (0.57) MEN1KMT2APDE4BMAPK10ALDH1A1
SCHEMBL25656125 0.81 MEN1 (0.57) MEN1KMT2APDE4BMAPK10ALDH1A1
SCHEMBL25656123 0.79 MEN1 (0.55) MEN1KMT2APDE4BMAPK10ALDH1A1
SCHEMBL25656121 0.76 MEN1 (0.49) MEN1KMT2APDE4BMAPK10ALDH1A1
SCHEMBL13262173 0.74 PDE4B (0.51) MEN1KMT2APDE4BMAPK10ALDH1A1
SCHEMBL25656103 0.73 LRRK2 (0.48)
SCHEMBL19021357 0.71 KMT2A (0.49) MEN1KMT2APDE4BMAPK10ALDH1A1
SCHEMBL2914728 0.71 PDGFRB (0.70) MEN1KMT2AMAPK10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 MEN1 796/4885KMT2A 4288/4885PDE4B 47/4885

“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.