SCHEMBL1606453

SCHEMBL1606453

N#Cc1c(-c2cccnc2)[nH]c2cc(F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
KCNH2 Q12809 1/20 0.52
PDE10A Q9Y233 3/20 0.51
DHODH Q02127 1/20 0.51
CYP11B1 P15538 3/20 0.49
SQOR Q9Y6N5 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
FLT3 P36888 2/20 0.46
DYRK1A Q13627 2/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CYP11B2 P19099 3/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL1606265 0.84 CYP11B2 (0.61) TDO2PDE10ADHODHCYP11B1DYRK1A
SCHEMBL7939316 0.80 CYP11B1 (0.69) TDO2HTR2AHTR2CKCNH2CYP11B1
SCHEMBL21834364 0.79 PDE10A (0.62) PDE10ADHODHCYP11B1FLT3DYRK1A
Hydrochloric Acid SCHEMBL1606498 0.79 CYP11B1 (0.68) TDO2HTR2AHTR2CKCNH2CYP11B1
SCHEMBL1606763 0.78 CYP19A1 (0.57) PDE10ADHODHCYP11B1FLT3DYRK1A
SCHEMBL1606095 0.77 PDE10A (0.54) PDE10ADHODHCYP11B1ALDH1A1KDM4E
SCHEMBL1607071 0.75 PDE10A (0.45) PDE10ADHODHCYP11B1DYRK1ACYP11B2
SCHEMBL31049415 0.74 IDO1 (0.42) HTR2AHTR2CKCNH2ALDH1A1HPGD
SCHEMBL21812374 0.73 PDE10A (0.65) PDE10ADHODHFLT3DYRK1ACLK1
SCHEMBL1605727 0.72 CYP11B1 (0.69) TDO2HTR2AHTR2CKCNH2DHODH

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TDO2 361/4885HTR2A 1855/4885HTR2C 924/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TDO2 361/4885HTR2A 1855/4885HTR2C 924/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TDO2 285/4885HTR2A 2115/4885HTR2C 1125/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TDO2 285/4885HTR2A 2115/4885HTR2C 1125/4885

“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.