SCHEMBL4105396

SCHEMBL4105396

CCOC(=O)c1cc(C#N)c(=O)[nH]c1CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 7/20 0.58
MEN1 O00255 4/20 0.58
RXFP1 Q9HBX9 2/20 0.58
KDM4E B2RXH2 10/20 0.56
GLA P06280 1/20 0.56
ATM Q13315 1/20 0.56
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 3/20 0.51
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 2/20 0.48
TP53 P04637 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL22115166 0.90 MAPT (0.56) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL3587530 0.89 MAPT (0.55) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL26784496 0.89 KDM4E (0.56) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL3326985 0.89 MAPT (0.55) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL22115294 0.88 MAPT (0.54) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL3939838 0.87 MAPT (0.53) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL3327316 0.86 MAPT (0.52) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL3227136 0.86 MAPT (0.72) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL11017990 0.84 KMT2A (0.49) MAPTKMT2AALDH1A1MEN1RXFP1
SCHEMBL10811815 0.82 PDE3B (0.51) MAPTKMT2AALDH1A1MEN1RXFP1

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 10 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
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP 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-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 MAPT 3846/4885KMT2A 4572/4885ALDH1A1 1634/4885
US-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 MAPT 3696/4885KMT2A 4642/4885ALDH1A1 1820/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 MAPT 4295/4885KMT2A 4406/4885ALDH1A1 1638/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 MAPT 4276/4885KMT2A 3584/4885ALDH1A1 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.