SCHEMBL8065855

SCHEMBL8065855

CNc1cncc(NC)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
NCF1 P14598 1/20 0.37
AOC1 P19801 1/20 0.36
AOC3 Q16853 1/20 0.36
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
CTSA P10619 1/20 0.33
HCAR3 P49019 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NUDT1 P36639 1/20 0.32
BRAF P15056 4/20 0.32
CDK2 P24941 1/20 0.31
NNMT P40261 1/20 0.31
PDPK1 O15530 1/20 0.31
EGFR P00533 2/20 0.30

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
SCHEMBL1794376 0.84
SCHEMBL12411078 0.83 TRPM8 (0.36) FYNHCAR3NUDT1PDPK1
SCHEMBL14865283 0.82
SCHEMBL22792329 0.82
SCHEMBL13159701 0.82
SCHEMBL30095550 0.82
SCHEMBL4781903 0.82
SCHEMBL12501350 0.78 FYN (0.36) FYNNOS3NOS2KDM4EALDH1A1
SCHEMBL15360302 0.78 BRAF (0.37) FYNBRAF
SCHEMBL20469081 0.78 FYN (0.36) FYNNOS3NOS2CTSAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-3050618-A1 ALDEHYDE REMOVAL MATERIAL Toyobo Co., Ltd. (JP) 2016-08-03 EP disclosed
US-20160214079-A1 ALDEHYDE REMOVING AGENT TOYOBO CO., LTD. (JP) 2016-07-28 US disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD FYN 2666/4885NOS3 3545/4885NOS2 3122/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD FYN 2666/4885NOS3 3545/4885NOS2 3122/4885

“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.