SCHEMBL9953110

SCHEMBL9953110

Cc1ccc2c(c1)c(C#C[Si](C)(C)C)nn2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
CTRB1 P17538 1/20 0.38
APEX1 P27695 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL3669443 0.86 GABRA1 (0.39) ELANEF2PLAUCTRB1RAB9A
SCHEMBL27788251 0.85 ELANE (0.42) ELANEKDM4EL3MBTL1LMNAALDH1A1
SCHEMBL9952439 0.83 KDM4E (0.37) ELANEF2PLAUCTRB1MAPT
SCHEMBL9951691 0.83 MAP2K4 (0.38) ELANEF2PLAUCTRB1POLB
SCHEMBL27628295 0.81 ELANE (0.51) ELANEF2PLAUCTRB1MAPT
SCHEMBL27945218 0.76 GABRA1 (0.32) ELANEMAPTKMT2A
SCHEMBL4289864 0.76 GABRA1 (0.41) ELANERAB9A
SCHEMBL9953073 0.74 ELANE (0.40) ELANEF2PLAUCTRB1APEX1
SCHEMBL4287763 0.69 ELANE (0.38) ELANE
SCHEMBL3668365 0.69 KDM4E (0.40) MAPTKDM4EMEN1KMT2AHPGD

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 5 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
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
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 ELANE 267/4885F2 1989/4885PLAU 4207/4885

“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.