SCHEMBL3400117

SCHEMBL3400117

Nc1cncc(C(=O)N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP11B2 P19099 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DDO Q99489 1/20 0.50
▸ PKM P14618 1/20 0.48
▸ PHGDH O43175 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ NTRK1 P04629 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL18041382 0.85 KDM4E (0.66) ALDH1A1HPGDKDM4ECYP11B2MEN1
SCHEMBL24755709 0.85 KDM4E (0.61) SMN1; SMN2ALDH1A1HPGDKDM4ECYP11B2
SCHEMBL30933132 0.85 KDM4E (0.61) SMN1; SMN2ALDH1A1HPGDKDM4ECYP11B2
SCHEMBL15695610 0.82 KDM4E (0.65) SMN1; SMN2HPGDKDM4EKMT2APKM
SCHEMBL19682609 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1558959 0.81 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18307171 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12104580 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14733308 0.80 KDM4E (0.62) SMN1; SMN2HPGDKDM4EKMT2APKM
SCHEMBL9955042 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 — — EP disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 SMN1; SMN2 3119/4885ALDH1A1 4487/4885HPGD 2172/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 SMN1; SMN2 2398/4885ALDH1A1 1389/4885HPGD 1215/4885

“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.

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