SCHEMBL3409147

SCHEMBL3409147

Cc1cc(Cl)cc(-c2cnc(N)c(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.53
MAP4K4 O95819 6/20 0.43
PIK3CB P42338 1/20 0.41
PRKCI P41743 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28239 0.79 CHRNA7 (0.48) CHRNA7MAP4K4ALDH1A1HTTNPSR1
SCHEMBL3406981 0.75 PIK3C3 (0.40) CHRNA7MAP4K4PIK3CBIKBKETBK1
SCHEMBL1516765 0.70 MAPT (0.61) ADORA2AADORA1ALDH1A1HTT
SCHEMBL28981560 0.69 CNR2 (0.56) CNR1CNR2ALDH1A1HPGD
SCHEMBL27602501 0.69 PDGFRB (0.54) CHRNA7IKBKETBK1ALDH1A1HPGD
SCHEMBL11306234 0.68 MAPT (0.53) ALDH1A1HTTNPSR1
SCHEMBL3201331 0.68 NPC1 (0.50) CHRNA7MAP4K4ALDH1A1
SCHEMBL10396987 0.67 MAPT (0.47) ALDH1A1HTTNPSR1
SCHEMBL11010961 0.67 MAP4K4 (0.65) CHRNA7MAP4K4IKBKETBK1
SCHEMBL3618878 0.67 PDE4A (0.43) MAP4K4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036961-A Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2011-04-27 CN claimed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP claimed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO claimed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US claimed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
CN-102036961-B Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2014-02-26 CN disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
CN-102036961-A Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2011-04-27 CN disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 CHRNA7 3336/4885MAP4K4 3444/4885PIK3CB 4258/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 CHRNA7 3336/4885MAP4K4 3444/4885PIK3CB 4258/4885

“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.