SCHEMBL4253183

SCHEMBL4253183

COc1cnc(N)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.47
ATR Q13535 5/20 0.41
MAP4K4 O95819 2/20 0.40
NEK2 P51955 5/20 0.40
PRKDC P78527 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NNMT P40261 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL360918 0.86 SIRT6 (0.47) SIRT6ATRMAP4K4NEK2TDP1
SCHEMBL4253359 0.86 NPSR1 (0.47) SIRT6ATRPRKDCNNMTKDM4E
SCHEMBL11907385 0.83 ATR (0.44) SIRT6ATRNEK2PRKDC
SCHEMBL410727 0.77 ATR (0.58) ATRPRKDCTDP1KDM4EALDH1A1
SCHEMBL10328705 0.76 POLB (0.51) SIRT6TDP1NNMTPOLBLMNA
SCHEMBL361688 0.76 SIRT6 (0.44) SIRT6TDP1NNMTPOLBLMNA
SCHEMBL3575758 0.76 GRM5 (0.53) ATRMAP4K4PRKDCPOLBKDM4E
SCHEMBL30206007 0.75 SIRT6 (0.43) SIRT6TDP1NNMTPOLBLMNA
SCHEMBL17325906 0.75 SIRT6 (0.51) SIRT6NNMTPOLBKDM4EALDH1A1
SCHEMBL30296534 0.75 SIRT6 (0.43) SIRT6TDP1NNMTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US claimed
CN-101336238-A Novel bicyclic carbonylaminopyridine-2-carboxamides or 3-bicyclic carbonylaminopyrazine-2-carboxamides ASTRAZENECA AB (SE) 2008-12-31 CN claimed
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
CN-101336238-A Novel bicyclic carbonylaminopyridine-2-carboxamides or 3-bicyclic carbonylaminopyrazine-2-carboxamides ASTRAZENECA AB (SE) 2008-12-31 CN disclosed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 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-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 SIRT6 418/4885ATR 3434/4885MAP4K4 3285/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C SIRT6 1402/4885ATR 3118/4885MAP4K4 2727/4885

“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.