SCHEMBL6599753

SCHEMBL6599753

O=C(O)COc1ccc2[nH]ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.55
ROCK1 Q13464 3/20 0.55
PTPN7 P35236 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
STK17B O94768 1/20 0.52
MAP3K8 P41279 1/20 0.52
STK17A Q9UEE5 1/20 0.52
PDE2A O00408 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
P2RY12 Q9H244 1/20 0.51
POLB P06746 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL29843483 1.00 ROCK2 (0.55) ROCK2ROCK1PTPN7MEN1KMT2A
SCHEMBL19555316 0.88 PTPN7 (0.55) ROCK2ROCK1PTPN7MEN1KMT2A
SCHEMBL30025182 0.88 PTPN7 (0.55) ROCK2ROCK1PTPN7MEN1KMT2A
Trifluoroacetic Acid SCHEMBL20974298 0.81 PTPN7 (0.48) ROCK2ROCK1PTPN7MEN1KMT2A
SCHEMBL19555379 0.81 MEN1 (0.51) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL6574033 0.80 RAB9A (0.49) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL5410655 0.78 ROCK2 (0.50) ROCK2ROCK1MEN1KMT2APDE3B
SCHEMBL4076964 0.78 PTPN7 (0.85) PTPN7MEN1KMT2APDE2APDE3B
SCHEMBL5019916 0.78 ESR1 (0.66)
SCHEMBL15226600 0.78 ESR1 (0.66)

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
US-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 US disclosed
CN-116134015-A Selective acyclic nucleotide activating factor for CAMP sensor EPAC1 得克萨斯州大学系统董事会 2023-05-16 CN disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 CREB1, RAPGEF4, ATF4 ROCK2 1434/4885ROCK1 1730/4885PTPN7 1664/4885

“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.