SCHEMBL17623716

SCHEMBL17623716

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
EGLN2 Q96KS0 1/20 0.42
MGLL Q99685 2/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ESRRG P62508 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 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
SCHEMBL29306640 0.82 KMT2A (0.46) KMT2AMEN1EGLN2ALDH1A1SMN1; SMN2
SCHEMBL19133478 0.82 MEN1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7719747 0.81 EPHX2 (0.52) KMT2AMEN1MGLLALDH1A1CA12
SCHEMBL17623590 0.80 KDM1A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL25496774 0.80 MEN1 (0.45) IRAK4KMT2AMEN1EGLN2MGLL
SCHEMBL23099474 0.79 CDK2 (0.43) EGLN2MGLL
SCHEMBL17623699 0.79 NAMPT (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2CA12
SCHEMBL6116171 0.77 GPR119 (0.44) KMT2AMEN1EGLN2ALDH1A1SMN1; SMN2
SCHEMBL24890614 0.77 SMN1; SMN2 (0.58) KMT2AMEN1EGLN2ALDH1A1SMN1; SMN2
SCHEMBL17623704 0.77 TRPA1 (0.57) KMT2AMEN1EGLN2ESRRGTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 IRAK4 22/4885KMT2A 999/4885MEN1 2717/4885
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 IRAK4 22/4885KMT2A 999/4885MEN1 2717/4885

“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.