SCHEMBL25873194

SCHEMBL25873194

COc1ccc2c(C(C)C)nccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.48
TRPA1 O75762 1/20 0.48
HASPIN Q8TF76 2/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
RIOK2 Q9BVS4 4/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
PLAU P00749 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL24916395 0.87 PLAU (0.52) DYRK1AHASPINRAB9ACYP1A2CYP2A6
SCHEMBL23457925 0.81 KRAS (0.49) DYRK1ATRPA1RAB9ACYP1A2CYP2A6
SCHEMBL20609543 0.78 ACHE (0.62) TRPA1RAB9ACYP1A2PDE3BPDE3A
SCHEMBL13385161 0.78 TRPA1 (0.56) DYRK1ATRPA1RAB9ACYP1A2RIOK2
SCHEMBL10024935 0.77 LMNA (0.41) DYRK1ATRPA1RAB9ACYP2A6PLAU
SCHEMBL23877038 0.77 CYP2A6 (0.41) RAB9ACYP1A2CYP2A6CCR1CCR5
SCHEMBL6389633 0.77 TRPA1 (0.62) DYRK1ATRPA1HASPINRAB9ACYP1A2
SCHEMBL3266115 0.77 DYRK1A (0.54) DYRK1ATRPA1HASPINRAB9ACYP1A2
SCHEMBL23877296 0.77 L3MBTL1 (0.46) DYRK1AHASPINRAB9ACYP1A2CYP2A6
SCHEMBL28822473 0.76 CASR (0.50) TRPA1RAB9ARIOK2PDE3BPDE3A

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-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 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-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 DYRK1A 2887/4885TRPA1 4835/4885HASPIN 1412/4885

“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.