SCHEMBL3328561

SCHEMBL3328561

CC(C)(C)OC(=O)N1CC(C(=O)NS(=O)(=O)Cc2ccccc2)C1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.81
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
P2RY12 Q9H244 1/20 0.45
NAMPT P43490 1/20 0.45
NR1H2 P55055 1/20 0.44
TACR1 P25103 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL22089505 0.91 STS (0.90) STSJAK2JAK1GPR119KDM4E
SCHEMBL28418216 0.91 STS (0.90) STSJAK2JAK1GPR119KDM4E
SCHEMBL1970651 0.90 STS (1.00) STSGPR119KDM4EPKMPTPRB
SCHEMBL3595487 0.84 STS (0.65) STSCA12CA1CA7CA14
SCHEMBL3588904 0.82 STS (0.58) STSCA1P2RY12
SCHEMBL38658608 0.82 STS (0.62) STSNAMPTNR1H2JAK2JAK1
SCHEMBL4921942 0.81 TACR1 (0.56) STSNAMPTTACR1
SCHEMBL22089512 0.79 STS (0.80) STSP2RY12GPR119PTPRBPTPN11
SCHEMBL28422820 0.79 STS (0.80) STSP2RY12GPR119
SCHEMBL21641290 0.79 STS (0.52) STSNAMPTTACR1JAK2JAK1

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 14 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
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 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
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
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 (6 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 STS 2088/4885CA12 3752/4885CA1 4482/4885
US-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 STS 2526/4885CA12 4529/4885CA1 4845/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 STS 2643/4885CA12 3879/4885CA1 4624/4885
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 STS 2600/4885CA12 3505/4885CA1 4124/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 STS 2548/4885CA12 4725/4885CA1 4880/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 STS 3011/4885CA12 4294/4885CA1 4602/4885

“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.