SCHEMBL15312545

SCHEMBL15312545

[N-]=[N+]=Nc1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PDE1B Q01064 1/20 0.38
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CXCR3 P49682 1/20 0.35
SLC6A3 Q01959 2/20 0.35
METTL3 Q86U44 1/20 0.35
SMO Q99835 2/20 0.35
BRAF P15056 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DGKZ Q13574 1/20 0.33
PDE7B Q9NP56 1/20 0.32
EZH2 Q15910 1/20 0.32

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
SCHEMBL22425610 0.77 TLR7 (0.43) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL1929059 0.77 JAK2 (0.43) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL15324898 0.77 TLR7 (0.43) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL9953012 0.77 TLR7 (0.45) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL15312373 0.77 TLR7 (0.45) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL14857043 0.74 DGKZ (0.41) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL9953021 0.72 KCNJ1 (0.45) JAK2JAK1PDE1B
SCHEMBL25153282 0.69 LPL (0.43) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL13638843 0.67 CCNC (0.37) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL5633276 0.67 OPRK1 (0.41) TLR7JAK2JAK1PDE1BPRMT5

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-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 CYP51A1 166/4885TLR7 156/4885JAK2 66/4885

“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.