SCHEMBL993767

SCHEMBL993767

C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 6/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
PDE7A Q13946 1/20 0.42
SLC6A9 P48067 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL993768 1.00 HTT (0.64) HTTL3MBTL1ALDH1A1LMNAGAA
Tert-Butyl Formate SCHEMBL27769719 0.91 HTT (0.55) HTTL3MBTL1ALDH1A1LMNAGAA
Tert-Butyl Formate SCHEMBL27769714 0.91 HTT (0.55) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL17690590 0.89 HTT (0.52) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL1046568 0.84 HTT (0.67) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL1046567 0.84 HTT (0.67) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL15320877 0.84 LMNA (0.47) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL10126809 0.82 HTT (0.69) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL994308 0.81 HTT (0.80) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL19175222 0.80 HTT (0.47) HTTL3MBTL1ALDH1A1LMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
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
CN-102796099-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG 2012-11-28 CN 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
CN-101495477-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-29 CN 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

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 HTT 4553/4885L3MBTL1 3329/4885ALDH1A1 905/4885
US-20120207751-A1 Imidazoquinolines as lipid kinase inhibitors PI4KA, PDPK1, PI4KB HTT 4862/4885L3MBTL1 3974/4885ALDH1A1 2839/4885
US-20110251202-A1 1,3-Dihydro-imidazo[4,5-c]quinolin-2-ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A HTT 4553/4885L3MBTL1 3329/4885ALDH1A1 905/4885
US-20080194579-A1 1,3-Dihydro-Imidazo [4,5-C] Quinolin-2-Ones as Lipid Kinase Inhibitors PDPK1, PI4KA, PIP4K2A HTT 4553/4885L3MBTL1 3329/4885ALDH1A1 905/4885

“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.