SCHEMBL29554271

SCHEMBL29554271

CC(C)(C)OC(=O)N1Cc2cc(N)ccc2C2(CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.66
ESR2 Q92731 1/20 0.48
USP30 Q70CQ3 1/20 0.41
HDAC1 Q13547 3/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 1/20 0.39
NAMPT P43490 3/20 0.37
HDAC2 Q92769 2/20 0.36
MTOR P42345 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CYP11B2 P19099 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12006705 1.00 NR1H2 (0.66) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL30468491 0.89 NR1H2 (0.68) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL446262 0.86 NR1H2 (0.64) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL29507872 0.86 NR1H2 (0.64) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL12283366 0.85 ESR2 (0.48) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL29390606 0.85 ESR2 (0.48) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL31075233 0.84 ESR2 (0.47) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL22993203 0.83 ESR2 (0.46) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL29388532 0.83 ESR2 (0.46) NR1H2ESR2USP30HDAC1DDB1
SCHEMBL31075276 0.82 ESR2 (0.46) NR1H2ESR2USP30HDAC1DDB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347592-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS WEE1 KINASE INHIBITORS Aprea Therapeutics, Inc. (US) 2024-04-10 EP disclosed
CN-117720541-A Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2024-03-19 CN disclosed
CN-111902413-B Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2023-10-17 CN disclosed
CN-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 CN disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
WO-2022256680-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS WEE1 KINASE INHIBITORS ATRIN PHARMACEUTICALS (US) 2022-12-08 WO disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 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-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 NR1H2 4452/4885ESR2 3367/4885USP30 3272/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 NR1H2 4452/4885ESR2 3367/4885USP30 3272/4885

“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.