SCHEMBL19730143

SCHEMBL19730143

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2[nH]ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.35
TRPA1 O75762 2/20 0.35
PDPK1 O15530 1/20 0.35
JAK3 P52333 3/20 0.35
NUDT1 P36639 1/20 0.34
DRD1 P21728 3/20 0.34
SSTR4 P31391 1/20 0.33
JAK2 O60674 2/20 0.33
AAK1 Q2M2I8 1/20 0.32
P2RX7 Q99572 1/20 0.32
DHPS P49366 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL13667386 0.78 EGLN1 (0.39) PDPK1DRD1SSTR4AAK1
SCHEMBL19714981 0.78 JAK1 (0.54) JAK1PDPK1JAK3JAK2
SCHEMBL19730142 0.76 NUDT1 (0.45) JAK1JAK3NUDT1JAK2TYK2
SCHEMBL19730140 0.75 DHPS (0.41) DHPS
SCHEMBL13759613 0.73 ATR (0.42) JAK1JAK3NUDT1JAK2P2RX7
SCHEMBL6918452 0.73 PDPK1 (0.34) PDPK1SSTR4AAK1
SCHEMBL3466985 0.73 SSTR4 (0.36) PDPK1SSTR4AAK1
SCHEMBL3743397 0.72 PDPK1 (0.37) PDPK1SSTR4AAK1
SCHEMBL29838697 0.72 JAK3 (0.41) JAK1PDPK1JAK3NUDT1JAK2
SCHEMBL24666062 0.71 POLB (0.36) PDPK1SSTR4PDE3A

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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 US disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 JAK1 3521/4885TRPA1 2334/4885PDPK1 1535/4885

“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.