SCHEMBL9960872

SCHEMBL9960872

CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]nc(I)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ TLR8 Q9NR97 2/20 0.48
▸ TLR7 Q9NYK1 2/20 0.48
▸ TLR9 Q9NR96 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42

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
SCHEMBL9952569 0.85 CNR1 (0.47) CNR1HTTTLR8TLR7TLR9
SCHEMBL9952358 0.83 CCNC (0.44) TLR8TLR7TLR9
SCHEMBL31433879 0.81 MAPT (0.46) CNR1HTTKDM4EMAPTTHRB
SCHEMBL16262637 0.79 KDM4E (0.55) CNR1HTTTLR8TLR7TLR9
SCHEMBL9951755 0.79 KDM4E (0.47) CNR1HTTTLR8TLR7TLR9
SCHEMBL28688778 0.79 KDM4E (0.50) CNR1HTTTLR8TLR7TLR9
Tert-Butyl Formate SCHEMBL28019561 0.79 CNR1 (0.42) CNR1HTTTLR8TLR7TLR9
SCHEMBL31110492 0.78 NAMPT (0.50) CNR1HTTTLR8TLR7TLR9
SCHEMBL5820398 0.78 TLR9 (0.49) HTTTLR8TLR7TLR9KDM4E
SCHEMBL9952336 0.78 FASN (0.52) HTTTLR8TLR7TLR9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP 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-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 — — EP 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
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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 (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 CNR1 2927/4885HTT 4607/4885TLR8 88/4885

“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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