SCHEMBL12733642

SCHEMBL12733642

Nc1nc2ccccc2c2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.51
DPP4 P27487 1/20 0.50
ADORA3 P0DMS8 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
ACHE P22303 3/20 0.49
MAPT P10636 3/20 0.49
ADORA2A P29274 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
ALOX12 P18054 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
DCPS Q96C86 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
APP P05067 2/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL71734 0.93 CLK1 (0.51) CLK1DPP4ADORA3KDM4EALDH1A1
SCHEMBL8628496 0.81 CLK1 (0.54) CLK1ADORA3KDM4EALDH1A1HPGD
SCHEMBL72801 0.80 DCPS (0.64) CLK1ADORA3KDM4EALDH1A1HPGD
SCHEMBL29583288 0.80 DCPS (0.64) CLK1ADORA3KDM4EALDH1A1HPGD
SCHEMBL840416 0.79 CLK1 (0.51) CLK1ADORA3KDM4EALDH1A1HPGD
SCHEMBL21244207 0.79 GPR3 (0.66) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL28202585 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL7795994 0.76 ACHE (0.67) ADORA3KDM4EALDH1A1HPGDACHE
SCHEMBL11057550 0.76 ACHE (0.67) ADORA3KDM4EALDH1A1HPGDACHE
SCHEMBL9709249 0.76 MAOA (0.72) ADORA3KDM4EALDH1A1HPGDACHE

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
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 EP disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 US disclosed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US disclosed
US-8466167-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2013-06-18 US disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 US disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 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 (2 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 CLK1 4249/4885DPP4 991/4885ADORA3 225/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 CLK1 4249/4885DPP4 991/4885ADORA3 225/4885

“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.