SCHEMBL4110150

SCHEMBL4110150

CCOC(=O)c1cc(C#N)c(=O)n(COCC[Si](C)(C)C)c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
KDM4E B2RXH2 13/20 0.45
ALDH1A1 P00352 10/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
HSD17B10 Q99714 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.43
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4106191 0.88 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1KMT2AMAPT
SCHEMBL949202 0.83 TSHR (0.39) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL4099709 0.83 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1KMT2AMAPT
SCHEMBL4115104 0.81 L3MBTL1 (0.43) L3MBTL1KDM4EPOLB
SCHEMBL22890214 0.75 KDM4E (0.52) L3MBTL1KDM4EALDH1A1KMT2AMAPT
SCHEMBL952164 0.73 NPC1 (0.42) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL3081062 0.73 KDM4E (0.39) KDM4EALDH1A1MAPTHSD17B10POLB
SCHEMBL20531567 0.73 KDM4E (0.41) L3MBTL1KDM4EALDH1A1KMT2AMAPT
SCHEMBL129089 0.72 HSD17B10 (0.36) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL4104664 0.72 P2RY12 (0.34) L3MBTL1KDM4EALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 L3MBTL1 4838/4885KDM4E 3376/4885ALDH1A1 1820/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 L3MBTL1 4877/4885KDM4E 2316/4885ALDH1A1 1638/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 L3MBTL1 4857/4885KDM4E 1759/4885ALDH1A1 1274/4885

“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.