SCHEMBL1606743

SCHEMBL1606743

CS(=O)(=O)NCc1cncc(-c2cc3ccc(Cl)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.45
CNR1 P21554 3/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
DYRK1A Q13627 5/20 0.43
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CLK2 P49760 4/20 0.40
CLK3 P49761 4/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
IDO1 P14902 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
SCHEMBL1606017 0.81 CDK5 (0.44) CYP11B2CNR1CDK5CDK5R1DYRK1A
SCHEMBL7951268 0.76 CDK5 (0.54) CDK5CDK5R1DYRK1ACYP19A1PTGDR2
SCHEMBL1606021 0.75 CYP11B2 (0.60) CYP11B2DYRK1ACYP19A1CYP11B1AURKA
SCHEMBL1606038 0.74 CDK5 (0.49) CDK5CDK5R1DYRK1ACYP19A1PTGDR2
SCHEMBL1607061 0.72 TNKS (0.47) DYRK1ACLK2CLK3PTGDR2
SCHEMBL27810051 0.72 CYP11B2 (0.47) CYP11B2DYRK1ACYP19A1CYP11B1
SCHEMBL7946093 0.71 CDK5 (0.43) CYP11B2CDK5CDK5R1PTGDR2
SCHEMBL1606659 0.71 CDK5 (0.46) CDK5CDK5R1DYRK1ACYP19A1PTGDR2
SCHEMBL1606467 0.71 CDK5 (0.41) CNR1CDK5CDK5R1PTGDR2
SCHEMBL20337745 0.71 ALDH1A1 (0.47) CDK5CDK5R1DYRK1ACYP19A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP 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-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 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-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

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 13/4885CNR1 1209/4885CDK5 2743/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CNR1 1209/4885CDK5 2743/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CNR1 1391/4885CDK5 2464/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CNR1 1391/4885CDK5 2464/4885

“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.