Sugi Predict

Sugi Predict / Compounds / SCHEMBL9953012

SCHEMBL9953012

SCHEMBL9953012

Nc1ccc(CN2C[C@@H]3C[C@H]2CO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ PDE1B Q01064 1/20 0.41
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BRAF P15056 2/20 0.39
▸ GBA1 P04062 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ METTL3 Q86U44 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ DGKZ Q13574 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.34

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 1.00 TLR7 (0.45) TLR7JAK2JAK1ALDH1A1PDE1B
SCHEMBL1929059 0.84 JAK2 (0.43) TLR7JAK2JAK1ALDH1A1PDE1B
SCHEMBL22425610 0.84 TLR7 (0.43) TLR7JAK2JAK1ALDH1A1PDE1B
SCHEMBL15324898 0.84 TLR7 (0.43) TLR7JAK2JAK1ALDH1A1PDE1B
SCHEMBL15317724 0.81 TLR7 (0.41) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL14857043 0.81 DGKZ (0.41) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL9953021 0.79 KCNJ1 (0.45) JAK2JAK1ALDH1A1PDE1BLMNA
SCHEMBL15312545 0.77 CYP51A1 (0.40) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL25153282 0.76 LPL (0.43) TLR7JAK2JAK1PDE1BCCNC
SCHEMBL30206158 0.75 BRAF (0.40) TLR7JAK2JAK1PDE1BCCNC

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 9 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
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

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 TLR7 156/4885JAK2 66/4885JAK1 126/4885

“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.