SCHEMBL4005299

SCHEMBL4005299

CCOC(=O)c1cc(C#N)c(N2CCCNCC2)nc1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KDM4E B2RXH2 6/20 0.60
L3MBTL1 Q9Y468 5/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
MAPK1 P28482 1/20 0.58
P2RY12 Q9H244 9/20 0.56
HSD17B10 Q99714 1/20 0.54
MAPT P10636 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD3 P35462 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL30999840 0.96 ALDH1A1 (0.76) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL3874439 0.96 ALDH1A1 (0.76) ALDH1A1KDM4EL3MBTL1LMNAHPGD
Hydrochloric Acid SCHEMBL4878714 0.95 ALDH1A1 (0.74) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL5317646 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL14598715 0.87 ALDH1A1 (0.69) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL4295294 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL3926740 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EP2RY12
SCHEMBL30999844 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EP2RY12
SCHEMBL5611396 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL4105831 0.82 P2RY12 (0.69) ALDH1A1KDM4EL3MBTL1LMNAHPGD

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 9 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-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US disclosed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (4 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 ALDH1A1 1820/4885KDM4E 3376/4885L3MBTL1 4838/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 ALDH1A1 1638/4885KDM4E 2316/4885L3MBTL1 4877/4885
US-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 ALDH1A1 2018/4885KDM4E 2897/4885L3MBTL1 4866/4885
US-20090186876-A1 Pyridine Analogues II P2RY12, P2RY11, P2RY6 ALDH1A1 1602/4885KDM4E 3406/4885L3MBTL1 4798/4885

“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.