SCHEMBL2574591

SCHEMBL2574591

CN(C)CCNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(S(N)(=O)=O)cc4)c3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.49
JAK1 P23458 5/20 0.49
TYK2 P29597 4/20 0.49
JAK3 P52333 4/20 0.49
SRC P12931 1/20 0.48
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRAF P15056 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
SUV39H1 O43463 1/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
CDC7 O00311 1/20 0.40
CDK19 Q9BWU1 1/20 0.40

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
SCHEMBL14256422 0.90 CA2 (0.56) JAK2JAK1TYK2JAK3CA1
SCHEMBL14256914 0.90 JAK2 (0.47) JAK2JAK1TYK2JAK3CA1
SCHEMBL2569549 0.89 JAK2 (0.47) JAK2JAK1TYK2JAK3CA1
SCHEMBL2569572 0.85 JAK2 (0.66) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL3324700 0.75 KDM4E (0.70) CA1CA2CA9CA12CA14
SCHEMBL2571709 0.73 JAK2 (0.65) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL2571787 0.73 JAK2 (0.60) JAK2JAK1TYK2JAK3CA1
SCHEMBL2573586 0.73 JAK2 (0.64) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL2571621 0.72 JAK2 (0.62) JAK2JAK1TYK2JAK3RPS6KA2
SCHEMBL14280403 0.71 JAK2 (0.47) JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US claimed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP claimed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US claimed
EP-1900729-A1 Benzoxazoles and oxazolopyridines being useful as Janus kinases inhibitors Novartis AG (CH) 2008-03-19 EP claimed
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US disclosed
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US disclosed
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US disclosed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
EP-1900729-A1 Benzoxazoles and oxazolopyridines being useful as Janus kinases inhibitors Novartis AG (CH) 2008-03-19 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 (1 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-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors JAK2, JAK3, JAK1 JAK2 1/4885JAK1 3/4885TYK2 4/4885

“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.