SCHEMBL1605716

SCHEMBL1605716

CC1=C(c2cccnc2)[N]c2ccc(C#N)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.50
CYP11B1 P15538 7/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 2/20 0.45
CHRNB2 P17787 3/20 0.41
CHRNA5 P30532 3/20 0.41
CHRNA4 P43681 3/20 0.41
NPY5R Q15761 1/20 0.40
NEK1 Q96PY6 1/20 0.40
FLT3 P36888 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 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
SCHEMBL1606782 0.80 NPY5R (0.44) CYP11B2CYP11B1NPY5R
SCHEMBL17540172 0.77 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL17672897 0.73 CYP11B2 (0.60) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL17672766 0.72 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL16429064 0.71 CYP11B2 (0.62) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL22636969 0.69 CYP11B2 (0.58) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL13537172 0.69 CYP11B2 (0.71) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL29809001 0.69 CYP11B2 (0.71) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2
SCHEMBL16428861 0.69 CYP11B2 (0.62) CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL6188982 0.68 CYP11B2 (1.00) CYP11B2CYP11B1CYP17A1CYP19A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US 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-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

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 CYP11B2 13/4885CYP11B1 14/4885CYP17A1 65/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP17A1 65/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP17A1 57/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP17A1 57/4885

“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.