SCHEMBL12733658

SCHEMBL12733658

Nc1nc2ccccc2c2cccc(F)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ADORA2A P29274 4/20 0.47
DCPS Q96C86 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
ADORA3 P0DMS8 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
ACHE P22303 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
NQO2 P16083 1/20 0.45

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
SCHEMBL28084002 0.85 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL72815 0.78 DHFR (0.46) CYP1A2ADORA2ADCPSALDH1A1KDM4E
SCHEMBL13975114 0.74 POLB (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL29583288 0.73 DCPS (0.64) CYP1A2ADORA2ADCPSALDH1A1KDM4E
SCHEMBL72801 0.73 DCPS (0.64) CYP1A2ADORA2ADCPSALDH1A1KDM4E
SCHEMBL10581936 0.73 ACHE (0.46) CYP1A2CYP3A4CYP2C9CYP2C19DCPS
SCHEMBL30918024 0.73 ACHE (0.46) CYP1A2CYP3A4CYP2C9CYP2C19DCPS
SCHEMBL31123828 0.73 CYBB (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL2127622 0.73 DHFR (0.57) DCPSKCNH2DHFR
SCHEMBL30912748 0.73 DHFR (0.57) DCPSKCNH2DHFR

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 CYP1A2 4157/4885CYP3A4 2619/4885CYP2C9 3509/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 CYP1A2 4157/4885CYP3A4 2619/4885CYP2C9 3509/4885

“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.