SCHEMBL21483739

SCHEMBL21483739

CC(C)(C)OC(=O)N1CCC(Oc2cc(N)ccc2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.48
NR1H2 P55055 1/20 0.46
KDM1A O60341 1/20 0.46
USP30 Q70CQ3 1/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
GPR119 Q8TDV5 4/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL5835368 1.00 PDE4B (0.48) PDE4BNR1H2KDM1AUSP30PIK3CD
SCHEMBL27462772 0.93 KDM1A (0.53) PDE4BNR1H2KDM1APDE4APDE4C
SCHEMBL16980643 0.87 GPR119 (0.51) PDE4BNR1H2KDM1AUSP30PIK3CD
SCHEMBL4202107 0.87 PDE4B (0.59) PDE4BNR1H2KDM1AUSP30PIK3CD
SCHEMBL16980860 0.87 GPR119 (0.51) PDE4BNR1H2KDM1AUSP30PIK3CD
SCHEMBL15509004 0.87 PDE4B (0.59) PDE4BNR1H2KDM1AUSP30PIK3CD
SCHEMBL4202110 0.87 PDE4B (0.59) PDE4BNR1H2KDM1AUSP30PIK3CD
SCHEMBL29947729 0.86 PDE4B (0.45) PDE4BKDM1AUSP30PIK3CDPIK3CA
SCHEMBL26633333 0.86 PDE4B (0.45) PDE4BKDM1AUSP30PIK3CDPIK3CA
SCHEMBL30912524 0.85 PDE4B (0.52) PDE4BNR1H2KDM1AUSP30PIK3CD

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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 PDE4B 1516/4885NR1H2 3422/4885KDM1A 1004/4885

“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.