SCHEMBL1854385

SCHEMBL1854385

CC(C)(C)OC(=O)Nn1cccc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
RAB9A P51151 5/20 0.36
MIF P14174 1/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL3314258 0.85 NPFFR1 (0.39) CA12CA1CA7CA14CA2
SCHEMBL1966568 0.85 NR1H2 (0.39) KDM4ECA12CA1CA7CA14
SCHEMBL5863065 0.81 CTSK (0.45) CTSL
SCHEMBL9920358 0.80 TSHR (0.38) CA12CA1CA7CA14RAB9A
SCHEMBL9923086 0.80 RAB9A (0.36) CA12CA1CA7CA14RAB9A
SCHEMBL1298778 0.77 LMNA (0.38) KDM4ERAB9ANPC1SMN1; SMN2RECQL
SCHEMBL5863210 0.76 AAK1 (0.30)
SCHEMBL66516 0.75 CTSS (0.39) CA12CA1CA7CA14RAB9A
SCHEMBL2060019 0.74 LMNA (0.38) KDM4ECA1RECQLCA9ALDH1A1
SCHEMBL8127602 0.74 NPC1 (0.53) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576561-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
WO-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
EP-2324020-A2 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-05-25 EP disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 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 (2 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 KDM4E 839/4885CA12 4777/4885CA1 4472/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 396/4885CA12 3013/4885CA1 2115/4885

“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.