SCHEMBL2029150

SCHEMBL2029150

CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC1(C)OB(C2=CCNCC2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
PDK4 Q16654 1/20 0.37
GRM5 P41594 9/20 0.37
GRM1 Q13255 9/20 0.36
NAMPT P43490 1/20 0.35
NR1H2 P55055 1/20 0.35
P2RX7 Q99572 1/20 0.33
HTR6 P50406 1/20 0.33
JAK1 P23458 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL39349 0.90 PDK4 (0.43) USP30PDK4GRM5GRM1NAMPT
Carbamic Acid SCHEMBL30167549 0.86 GRM5 (0.41) USP30PDK4GRM5GRM1NAMPT
SCHEMBL986465 0.83 P2RX7 (0.44) USP30PDK4GRM5GRM1NAMPT
SCHEMBL12194027 0.83 GRM5 (0.45) PDK4GRM5GRM1NAMPTNR1H2
SCHEMBL20131001 0.83 PDK4 (0.40) USP30PDK4GRM5GRM1NAMPT
SCHEMBL22539474 0.82 P2RX7 (0.39) USP30PDK4GRM5GRM1NAMPT
SCHEMBL19373550 0.82 PDK4 (0.39) USP30PDK4GRM5GRM1NAMPT
SCHEMBL20998704 0.81 PDK4 (0.41) USP30PDK4GRM5GRM1NAMPT
SCHEMBL18409255 0.81 PDK4 (0.39) USP30PDK4GRM5GRM1NAMPT
SCHEMBL10179664 0.80 P2RX7 (0.46) USP30PDK4NR1H2P2RX7ESR2

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
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 WO 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS USP30 4486/4885PDK4 210/4885GRM5 2499/4885

“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.