SCHEMBL4129240

SCHEMBL4129240

CC(C)(C)OC(=O)N1CCNC(=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BUB1 O43683 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 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
SCHEMBL4511304 0.84 MAPK1 (0.46) MAPK1USP2SMN1; SMN2KDM4EMAPT
SCHEMBL29022649 0.78 MAPK1 (0.43) MAPK1USP2SMN1; SMN2CTSK
SCHEMBL5529311 0.74 NPSR1 (0.41) MAPTNPSR1FAAHNAAAPOLB
SCHEMBL11079589 0.74 MAPK1 (0.44) MAPK1BUB1KDM4EMAPTNPSR1
SCHEMBL1345971 0.74 MAPK1 (0.42) MAPK1PIM1PIM2
SCHEMBL8667894 0.74 TP53 (0.52) MAPK1KDM4EMAPTTHRBGPR119
SCHEMBL3432319 0.74 USP2 (0.41) USP2SMN1; SMN2BUB1KDM4EMAPT
SCHEMBL1007140 0.73 KDM4E (0.40) MAPK1USP2SMN1; SMN2KDM4EMAPT
SCHEMBL10701077 0.73 GAA (0.35) MAPK1SMN1; SMN2CTSKDDB1CRBN
SCHEMBL4621580 0.72 USP2 (0.40) USP2SMN1; SMN2BUB1KDM4EMAPT

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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 — — US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 — — US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 — — EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 — — EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 — — US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 — — EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 — — 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ MAPK1 497/4885USP2 1864/4885SMN1; SMN2 4708/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ MAPK1 497/4885USP2 1864/4885SMN1; SMN2 4708/4885

“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.

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