SCHEMBL993966

SCHEMBL993966

COCCN(CCOC)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP19A1 P11511 7/20 0.42
HTT P42858 3/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
S1PR4 O95977 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
VCAM1 P19320 1/20 0.38

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
SCHEMBL9544921 0.87 ALDH1A1 (0.47) CYP19A1HTTTP53ALDH1A1S1PR4
SCHEMBL16583799 0.85 CYP19A1 (0.48) CYP19A1HTTTP53ALDH1A1S1PR4
SCHEMBL16583893 0.81 MAPT (0.50) POLBCYP19A1HTTTP53ALDH1A1
SCHEMBL2088798 0.81 ALDH1A1 (0.51) POLBHTTTP53ALDH1A1HIF1A
SCHEMBL13174835 0.81 ALDH1A1 (0.45) CYP19A1HTTTP53ALDH1A1S1PR4
SCHEMBL7467657 0.81 ALDH1A1 (0.45) CYP19A1HTTTP53ALDH1A1S1PR4
SCHEMBL10151441 0.81 ALDH1A1 (0.45) CYP19A1HTTTP53ALDH1A1S1PR4
SCHEMBL9984967 0.80 HTT (0.61) CYP19A1HTTTP53ALDH1A1S1PR4
SCHEMBL13357839 0.79 ALDH3A1 (0.46) POLBCYP19A1HTTTP53ALDH1A1
SCHEMBL15547631 0.79 CYP19A1 (0.50) POLBCYP19A1HTTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431592-B2 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2013-04-30 US disclosed
EP-2270008-B1 8-heteroaryl-3-alkyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as PI-3 kinases inhibitors NOVARTIS AG (CH) 2012-10-03 EP disclosed
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2292617-B1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinase inhibitors NOVARTIS AG (CH) 2012-07-11 EP disclosed
EP-1888578-B9 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2012-04-25 EP disclosed
EP-1888578-B1 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLINYL)-PHENYL]PROPIONITRILE AS LIPID KINASE INHIBITOR NOVARTIS AG (CH) 2011-11-30 EP disclosed
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors NOVARTIS AG (CH) 2011-10-13 US disclosed
US-7994170-B2 1,3-dihydro-imidazo[4,5-C]quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2011-08-09 US disclosed
EP-2292617-A1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinase inhibitors Novartis AG (CH) 2011-03-09 EP disclosed
EP-2270008-A1 1,3-dihydro-imidazo[4,5-c]quinolin-2-ones as lipid kinase and/or pi3 kinases inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-20100056558-A1 1,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-04 US disclosed
US-7667039-B2 1,3-dihydro-imidazo [4,5-C] quinolin-2-ones as lipid kinase inhibitors NOVARTIS AG (CH) 2010-02-23 US disclosed
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1888578-A2 IMIDAZOQUINOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006122806-A2 1,3-DIHYDRO-IMIDAZO [4,5-C] QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2006-11-23 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 (4 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-20100056558-A1 1,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-2-ONES AS LIPID KINASE INHIBITORS PDPK1, PI4KA, PIP4K2A POLB 2629/4885CYP19A1 425/4885HTT 4553/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB POLB 2309/4885CYP19A1 390/4885HTT 4862/4885
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A POLB 2629/4885CYP19A1 425/4885HTT 4553/4885
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A POLB 2629/4885CYP19A1 425/4885HTT 4553/4885

“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.