SCHEMBL22650493

SCHEMBL22650493

CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2F)C(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.54
P2RX7 Q99572 7/20 0.44
HRH3 Q9Y5N1 4/20 0.42
GPR119 Q8TDV5 3/20 0.41
ESR2 Q92731 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29507776 1.00 NR1H2 (0.54) NR1H2P2RX7HRH3GPR119ESR2
SCHEMBL4537183 0.89 P2RX7 (0.55) P2RX7SMN1; SMN2
SCHEMBL1662960 0.88 P2RX7 (0.44) NR1H2P2RX7HRH3GPR119ESR2
SCHEMBL1584703 0.86 CPS1 (0.46) NR1H2P2RX7HRH3GPR119
SCHEMBL28692485 0.85 ALDH1A1 (0.54) P2RX7
SCHEMBL30734152 0.84 MEN1 (0.51) NR1H2P2RX7SMN1; SMN2
SCHEMBL1583488 0.84 MEN1 (0.51) NR1H2P2RX7SMN1; SMN2
SCHEMBL29508938 0.84 NR1H2 (0.53) NR1H2GPR119SMN1; SMN2
SCHEMBL660403 0.84 NR1H2 (0.53) NR1H2GPR119SMN1; SMN2
SCHEMBL22650385 0.82 NR1H2 (0.44) NR1H2P2RX7ESR2PDE4BPDE7A

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
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed
CN-113880816-A Piperazine-containing aminopyrimidine derivative and application thereof 杭州百诚医药科技股份有限公司 2022-01-04 CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 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-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 NR1H2 4055/4885P2RX7 4026/4885HRH3 1963/4885

“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.