SCHEMBL3932256

SCHEMBL3932256

CCOC(=O)c1cc(C#N)c(O)nc1CN1CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.45
KDM4E B2RXH2 11/20 0.45
L3MBTL1 Q9Y468 7/20 0.45
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
P2RY12 Q9H244 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL4739459 0.97 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL3939450 0.85 GRM2 (0.38) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4737225 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL4740601 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL4740581 0.79 PDE3B (0.41) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL4172207 0.79 P2RY12 (0.46) ALDH1A1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL4740254 0.77 RAB9A (0.41) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL4166527 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL10254012 0.75 KDM4E (0.62) ALDH1A1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL4785692 0.75 P2RY12 (0.64) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 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 (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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 ALDH1A1 1717/4885KDM4E 3427/4885L3MBTL1 4798/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 ALDH1A1 2394/4885KDM4E 2864/4885L3MBTL1 4634/4885

“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.