SCHEMBL17623699

SCHEMBL17623699

CC(C)(C)OC(=O)NCCCNC(=O)c1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
GAA P10253 2/20 0.52
MCHR1 Q99705 1/20 0.51
HDAC3 O15379 1/20 0.50
TP53BP1 Q12888 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
ADORA2A P29274 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CCR5 P51681 1/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
KCNA3 P22001 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL16152246 0.87 SMN1; SMN2 (0.60) GAATP53BP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7719747 0.85 EPHX2 (0.52) NAMPTHDAC3ALDH1A1CA12CA1
SCHEMBL4968783 0.84 GSK3B (0.50) NAMPTGAAHDAC3GPR139ALDH1A1
SCHEMBL284884 0.83 SMN1; SMN2 (0.59) TP53BP1SMN1; SMN2CA12CA1CA2
SCHEMBL3900425 0.83 CA12 (0.56) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16151786 0.83 SMN1; SMN2 (0.71) GAATP53BP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14679385 0.83 NPC1 (0.54) GAAHDAC3TP53BP1SMN1; SMN2MAPT
SCHEMBL284764 0.82 SMN1; SMN2 (0.55) GAAHDAC3TP53BP1SMN1; SMN2ALDH1A1
SCHEMBL5540070 0.82 NAMPT (0.73) NAMPTGAAMCHR1HDAC3SMN1; SMN2
SCHEMBL31407324 0.81 TP53BP1 (0.70) TP53BP1SMN1; SMN2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196194-B1 PYRIMIDINE DERIVATIVES USEFUL AS SELECTIVE JAK3 AND/OR JAK1 INHIBITORS SHENZHEN CHIPSCREEN BIOSCIENCES LTD (CN) 2019-08-07 EP disclosed
US-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2018-07-03 US disclosed
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND SHENZHEN CHIPSCREEN BIOSCIENCES, LTD. (CN) 2017-09-07 US disclosed
EP-3196194-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND Shenzhen Chipscreen Biosciences, Ltd. (CN) 2017-07-26 EP disclosed
WO-2016041472-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND 深圳微芯生物科技有限责任公司 2016-03-24 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-10011571-B2 Preparation method for aromatic heterocyclic compound used as selective JAK3 and/or JAK1 kinase inhibitor and application of aromatic heterocyclic compound JAK3, JAK1, JAK2 NAMPT 2038/4885GAA 2845/4885MCHR1 1691/4885
US-20170253566-A1 PREPARATION METHOD FOR AROMATIC HETEROCYCLIC COMPOUND USED AS SELECTIVE JAK3 AND/OR JAK1 KINASE INHIBITOR AND APPLICATION OF AROMATIC HETEROCYCLIC COMPOUND JAK3, JAK1, JAK2 NAMPT 2038/4885GAA 2845/4885MCHR1 1691/4885

“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.