SCHEMBL1927645

SCHEMBL1927645

CN(C)C1CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
DYRK1A Q13627 1/20 0.44
JAK3 P52333 1/20 0.44
MAP4K4 O95819 1/20 0.41
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MCHR1 Q99705 2/20 0.40
PTPN11 Q06124 1/20 0.38
OPRK1 P41145 1/20 0.38
PIM1 P11309 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL31217395 0.90 PTPN11 (0.45) HDAC6JAK2JAK1DYRK1AJAK3
SCHEMBL20507911 0.83 HDAC6 (0.44) HDAC6JAK2JAK1JAK3MAP4K4
SCHEMBL16991350 0.81 DYRK1A (0.45) HDAC6JAK2DYRK1AJAK3MAP4K4
SCHEMBL15509175 0.81 DYRK1A (0.45) HDAC6JAK2DYRK1AJAK3MAP4K4
SCHEMBL15205495 0.80 MCHR1 (0.55) JAK2JAK1MAP4K4HRH4HRH3
SCHEMBL390344 0.80 MCHR1 (0.55) JAK2JAK1MAP4K4HRH4HRH3
SCHEMBL390343 0.80 MCHR1 (0.55) JAK2JAK1MAP4K4HRH4HRH3
SCHEMBL28220125 0.80 MAP4K4 (0.46) HDAC6JAK2JAK1DYRK1AJAK3
SCHEMBL13569911 0.78 GRM2 (0.43) JAK2JAK1DYRK1AJAK3GRM2
SCHEMBL28890467 0.78 GRM2 (0.43) JAK2JAK1DYRK1AJAK3GRM2

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-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 HDAC6 134/4885JAK2 166/4885JAK1 474/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 HDAC6 105/4885JAK2 422/4885JAK1 356/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 HDAC6 134/4885JAK2 166/4885JAK1 474/4885

“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.