SCHEMBL24701007

SCHEMBL24701007

OCc1cccc(-c2cccnc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.57
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PTK2 Q05397 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 3/20 0.46
METAP2 P50579 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
PDE10A Q9Y233 1/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
KARS1 Q15046 1/20 0.43
KMO O15229 1/20 0.42
FYN P06241 1/20 0.42
ABL1 P00519 1/20 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
SCHEMBL2759492 0.83 CYP2A6 (0.62) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL3194702 0.81 CYP2A6 (0.74) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL2953474 0.80 MEN1 (0.60) HSP90AA1ALDH1A1PDE10A
SCHEMBL5014342 0.79 CYP2A6 (0.53) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL15810185 0.78 CYP2A6 (0.51) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL13680852 0.78 CYP2A6 (0.51) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL4943049 0.78 CYP2A6 (0.55) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL1271536 0.78 CYP2A6 (0.51) CYP2A6MKNK1MKNK2HSP90AA1HSP90AB1
SCHEMBL16588099 0.77 CCR1 (0.48) HSP90AA1ALDH1A1
SCHEMBL27362244 0.76 CYP2A6 (0.54) CYP2A6HSP90AA1HSP90AB1PTK2ALDH1A1

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-20220402883-A1 COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION ARRAKIS THERAPEUTICS, INC. 2022-12-22 US disclosed
US-20220281860-A1 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES ARRAKIS THERAPEUTICS, INC. 2022-09-08 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 (2 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-20220281860-A1 COMPOUNDS AND METHODS OF TREATING RNA-MEDIATED DISEASES NSUN3, NSUN2, POLRMT CYP2A6 3354/4885MKNK1 2072/4885MKNK2 1917/4885
US-20220402883-A1 COMPOUNDS AND METHODS FOR MODULATING RNA FUNCTION NSUN3, NSUN2, METTL16 CYP2A6 4642/4885MKNK1 1557/4885MKNK2 1312/4885

“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.