SCHEMBL1605727

SCHEMBL1605727

Cc1c(-c2cccnc2)[nH]c2ccc(F)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.69
CYP11B2 P19099 2/20 0.69
TLR9 Q9NR96 2/20 0.51
ACHE P22303 1/20 0.50
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
TDO2 P48775 1/20 0.49
CHUK O15111 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAP2K4 P45985 1/20 0.45
CDK9 P50750 1/20 0.43
RET P07949 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43

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
Hydrochloric Acid SCHEMBL1605472 0.99 CYP11B1 (0.68) CYP11B1CYP11B2TLR9ACHETLR8
SCHEMBL7939316 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL1606498 0.88 CYP11B1 (0.68) CYP11B1CYP11B2TLR9TLR8TLR7
SCHEMBL2789460 0.84 CYP11B1 (0.67) CYP11B1CYP11B2TLR9TLR8TLR7
SCHEMBL1606346 0.83 CYP11B1 (0.69) CYP11B1CYP11B2TLR9TLR8TLR7
SCHEMBL1607053 0.83 CYP11B1 (0.69) CYP11B1CYP11B2TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL1605347 0.82 CYP11B1 (0.68) CYP11B1CYP11B2TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL1604927 0.82 CYP11B1 (0.68) CYP11B1CYP11B2TLR9TLR8TLR7
SCHEMBL2792363 0.82 CYP11B2 (1.00) CYP11B1CYP11B2TLR9ACHETLR8
SCHEMBL8235035 0.82 F2 (0.58) CYP11B1CYP11B2HTR2AHTR2CKCNH2

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 31 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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN 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-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
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP 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 CYP11B1 14/4885CYP11B2 13/4885TLR9 4473/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B1 14/4885CYP11B2 13/4885TLR9 4473/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B1 15/4885CYP11B2 12/4885TLR9 4681/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B1 15/4885CYP11B2 12/4885TLR9 4681/4885

“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.