SCHEMBL4714778

SCHEMBL4714778

CN1CCN(c2ccc(-n3cnc4cnc5ccc(-c6ccc(O)cc6)cc5c43)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.52
FYN P06241 2/20 0.50
MAP3K8 P41279 1/20 0.47
MTOR P42345 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
TOP1 P11387 2/20 0.46
TOP2A P11388 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPKAPK2 P49137 8/20 0.45
MELK Q14680 1/20 0.45
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
JAK2 O60674 1/20 0.42
ACVR1 Q04771 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
SCHEMBL4710802 0.90 MAPKAPK2 (0.56) MAP3K8MAPKAPK2ACVR1
SCHEMBL4711945 0.83 MAPKAPK2 (0.48) MAP3K8ALDH1A1MAPKAPK2
SCHEMBL4715165 0.82 HTT (0.51) MAP3K8SMN1; SMN2MAPKAPK2
SCHEMBL5615107 0.74 AKT1 (0.67) MAP3K8PIK3CDPIK3CAALDH1A1
SCHEMBL2247254 0.74 MAP3K8 (0.54) MAP3K8MTORPIK3CDPIK3CAACVR1
SCHEMBL29330400 0.72 SYK (0.56) MAPKAPK2ACVR1
SCHEMBL4141098 0.72 MAPKAPK2 (0.82) MAPKAPK2
SCHEMBL2033020 0.72 PIK3CA (0.48) JAK1MAP3K8MTORPIK3CDPIK3CA
SCHEMBL2037912 0.71 FGFR1 (0.58) MAP3K8SMN1; SMN2
SCHEMBL4714182 0.70 HTR7 (0.54) MAP3K8ALDH1A1HSD17B10ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia NOVARTIS AG (CH) 2008-10-23 US claimed
EP-1687305-B1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-09 EP claimed
JP-2007511575-A 2007-05-10 JP claimed
EP-1687305-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP claimed
WO-2005054237-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2005-06-16 WO claimed
US-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1687305-B1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-09 EP disclosed
EP-1687305-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005054237-A1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2005-06-16 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-20080262021-A1 [4-(8-Benzo[1,3]dioxol-5-yl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-acetonitrile; treatment of chronic myeloic leukemia ABL1, MAP4K2, MAP3K1 JAK1 30/4885FYN 518/4885MAP3K8 13/4885

“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.