SCHEMBL4055593

SCHEMBL4055593

Nc1cccnc1-c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
NR4A2 P43354 1/20 0.33
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
PTPN13 Q12923 1/20 0.32
TDP2 O95551 2/20 0.32
NSD2 O96028 2/20 0.32

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
SCHEMBL9656802 0.78 CDC25B (0.34) SMN1; SMN2PTPRCCTSLCTSSPTPN13
SCHEMBL1521695 0.78 CYP2A6 (0.44) CNR2NOS3NOS1NOS2PTPRC
SCHEMBL1451183 0.78 KDM4E (0.41) CYP3A4ALOX15SMN1; SMN2PTPRCCTSL
SCHEMBL467479 0.75 GABRA1 (0.38) CYP3A4PTPRCCTSLCTSSPTPN13
SCHEMBL715110 0.75 PTGS2 (0.45) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL1083427 0.75 HSP90AA1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29535498 0.75 HSP90AA1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2039645 0.74 ALDH1A1 (0.33) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL713949 0.74 LMNA (0.44) CYP3A4ALOX15SMN1; SMN2MEN1BLM
SCHEMBL6716737 0.74 CA12 (0.39) SMN1; SMN2MEN1KMT2ALMNAKDM4E

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
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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 (1 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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB CYP3A4 965/4885ALOX15 2209/4885CASP1 3206/4885

“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.