SCHEMBL1929059

SCHEMBL1929059

Brc1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TLR7 Q9NYK1 2/20 0.41
PDE1B Q01064 1/20 0.41
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
PDE10A Q9Y233 2/20 0.37
BRAF P15056 1/20 0.37
METTL3 Q86U44 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DGKZ Q13574 1/20 0.35
PDE7B Q9NP56 3/20 0.34
IDH1 O75874 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 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
SCHEMBL15312373 0.84 TLR7 (0.45) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL15324898 0.84 TLR7 (0.43) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL22425610 0.84 TLR7 (0.43) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL9953012 0.84 TLR7 (0.45) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL14857043 0.81 DGKZ (0.41) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL15317724 0.81 TLR7 (0.41) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL30206158 0.80 BRAF (0.40) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL30205995 0.80 BRAF (0.40) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL23243011 0.79 PDE1B (0.36) JAK2JAK1TLR7PDE1BCCNC
SCHEMBL9953021 0.79 KCNJ1 (0.45) JAK2JAK1PDE1BKDM4EALDH1A1

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 JAK2 166/4885JAK1 474/4885TLR7 2936/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 JAK2 422/4885JAK1 356/4885TLR7 2747/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 JAK2 166/4885JAK1 474/4885TLR7 2936/4885

“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.