SCHEMBL2222093

SCHEMBL2222093

Cc1ccc2cc(N(c3ccc4nc(C)ccc4c3)c3ccc4nc(C)ccc4c3)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.63
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
CASP6 P55212 1/20 0.59
KDM1A O60341 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
PSMB5 P28074 1/20 0.40
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
TERT O14746 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL2223464 0.87 CYP1A2 (0.59) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL29589893 0.85 CYP1A2 (0.61) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL645554 0.85 CYP1A2 (0.61) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL11322348 0.80 TERT (0.61) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL2272142 0.80 CYP1A2 (0.50) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL29444268 0.77 CYP1A2 (1.00) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL161703 0.77 CYP1A2 (1.00) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL10259445 0.76 CYP1A2 (0.68) CYP1A2KDM4ELMNAPOLBCASP6
Iodide SCHEMBL31142554 0.76 CYP1A2 (0.95) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL21632300 0.76 CYP1A2 (0.65) CYP1A2KDM4ELMNAPOLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
EP-2523937-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES Centre National De La Recherche Scientifique (FR) 2012-11-21 EP disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 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-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 CYP1A2 43/4885KDM4E 2288/4885LMNA 2819/4885

“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.