SCHEMBL2260109

SCHEMBL2260109

Cc1cc(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)nc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.35
SSTR4 P31391 1/20 0.34
JAK1 P23458 3/20 0.34
SCN9A Q15858 1/20 0.34
BRD4 O60885 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NAMPT P43490 1/20 0.33
PIK3CD O00329 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
LCK P06239 1/20 0.33
NR1H2 P55055 1/20 0.33
SYK P43405 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL2257599 1.00 JAK3 (0.35) JAK3SSTR4JAK1SCN9ABRD4
SCHEMBL2259978 1.00 JAK3 (0.35) JAK3SSTR4JAK1SCN9ABRD4
SCHEMBL2261585 1.00 JAK3 (0.35) JAK3SSTR4JAK1SCN9ABRD4
SCHEMBL2257605 1.00 JAK3 (0.35) JAK3SSTR4JAK1SCN9ABRD4
SCHEMBL2785572 0.90 SSTR4 (0.35) JAK3SSTR4JAK1SCN9ANAMPT
SCHEMBL2600843 0.90 SSTR4 (0.35) JAK3SSTR4JAK1SCN9ANAMPT
SCHEMBL2115673 0.90 SSTR4 (0.35) JAK3SSTR4JAK1SCN9ANAMPT
SCHEMBL8209765 0.88 GSK3B (0.36) SSTR4SCN9ABRD4GSK3BDYRK1A
SCHEMBL8202286 0.88 GSK3B (0.36) SSTR4SCN9ABRD4GSK3BDYRK1A
SCHEMBL4727370 0.87 SCN9A (0.36) SCN9ABRD4GSK3BDYRK1ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US 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-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 JAK3 3349/4885SSTR4 1271/4885JAK1 2951/4885

“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.