SCHEMBL1606181

SCHEMBL1606181

N#Cc1ccc2[nH]c(-c3cccnc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 1.00
CYP11B2 P19099 4/20 0.59
CYP11B1 P15538 2/20 0.59
CYP17A1 P05093 1/20 0.59
CDK5 Q00535 3/20 0.55
CDK5R1 Q15078 3/20 0.55
VCP P55072 1/20 0.54
NPY5R Q15761 1/20 0.51
ITK Q08881 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHUK O15111 1/20 0.46
FLT3 P36888 2/20 0.46
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
DYRK1A Q13627 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
SCHEMBL11556289 0.82 CYP19A1 (1.00) CYP19A1CDK5CDK5R1VCPITK
SCHEMBL31317820 0.81 CYP19A1 (0.71) CYP19A1CYP11B2CYP11B1CYP17A1CDK5
SCHEMBL21812408 0.81 CYP19A1 (0.71) CYP19A1CYP11B2CYP11B1CYP17A1CDK5
SCHEMBL15058859 0.79 CYP19A1 (0.81) CYP19A1CDK5CDK5R1VCPITK
SCHEMBL7946248 0.78 CYP19A1 (0.68) CYP19A1NPY5RITKCLK2CLK3
SCHEMBL1605882 0.78 CYP19A1 (0.68) CYP19A1CDK5CDK5R1NPY5RCLK2
SCHEMBL7939806 0.78 CYP19A1 (0.68) CYP19A1CDK5CDK5R1CLK2CLK3
SCHEMBL1606556 0.78 CYP19A1 (0.68) CYP19A1CYP11B2CYP11B1CDK5CDK5R1
SCHEMBL1605652 0.78 CYP19A1 (0.68) CYP19A1CYP11B2CYP11B1CDK5CDK5R1
SCHEMBL2789486 0.77 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1CYP17A1CDK5

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 28 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
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 CYP19A1 68/4885CYP11B2 13/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 68/4885CYP11B2 13/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 55/4885CYP11B2 12/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP19A1 55/4885CYP11B2 12/4885CYP11B1 15/4885

“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.