SCHEMBL3326985

SCHEMBL3326985

CCOC(=O)c1cc(C#N)c(=O)[nH]c1CCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
ALDH1A1 P00352 9/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
KDM4E B2RXH2 12/20 0.54
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 4/20 0.49
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CASP1 P29466 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4105396 0.89 MAPT (0.58) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL22115166 0.88 MAPT (0.56) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL3587530 0.87 MAPT (0.55) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL26784496 0.87 KDM4E (0.56) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL22115294 0.86 MAPT (0.54) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL3939838 0.85 MAPT (0.53) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL3327316 0.84 MAPT (0.52) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL3227136 0.83 MAPT (0.72) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL3599399 0.79 MAPT (0.55) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL4117405 0.79 MAPT (0.55) MAPTALDH1A1KMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303146-A 3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof 中国科学院上海药物研究所 2020-06-19 CN disclosed
WO-2020119590-A1 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. 中国科学院上海药物研究所 2020-06-18 WO disclosed
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP 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
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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 (5 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 MAPT 3875/4885ALDH1A1 1518/4885KMT2A 4487/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 MAPT 4340/4885ALDH1A1 1928/4885KMT2A 4378/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 MAPT 3664/4885ALDH1A1 1691/4885KMT2A 4683/4885
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 MAPT 4725/4885ALDH1A1 2394/4885KMT2A 4239/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 MAPT 3560/4885ALDH1A1 1782/4885KMT2A 4675/4885

“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.