SCHEMBL3328003

SCHEMBL3328003

CCOC(=O)c1cc(C#N)c(Cl)nc1CCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.55
HSD17B10 Q99714 3/20 0.55
L3MBTL1 Q9Y468 7/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 12/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HTT P42858 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 4/20 0.44
HPGD P15428 4/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL4109638 0.91 L3MBTL1 (0.57) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL3581480 0.88 KDM4E (0.54) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL26784521 0.88 KDM4E (0.54) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL4874531 0.86 KDM4E (0.60) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL3925783 0.86 KDM4E (0.52) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL3327581 0.86 KDM4E (0.52) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL4740375 0.85 KDM4E (0.51) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL3227432 0.85 KDM4E (0.71) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL4737822 0.83 KDM4E (0.49) KDM4EHSD17B10L3MBTL1GAAALDH1A1
SCHEMBL609694 0.82 CASP1 (0.43) KDM4EALDH1A1MAPTTSHRSMN1; SMN2

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 13 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
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 KDM4E 3186/4885HSD17B10 3540/4885L3MBTL1 4856/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 KDM4E 2658/4885HSD17B10 4115/4885L3MBTL1 4870/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 KDM4E 3901/4885HSD17B10 3604/4885L3MBTL1 4818/4885
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 KDM4E 2864/4885HSD17B10 4541/4885L3MBTL1 4634/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 KDM4E 4200/4885HSD17B10 3908/4885L3MBTL1 4823/4885

“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.