SCHEMBL17373880

SCHEMBL17373880

CCn1ncc2cc(N3CC[C@H](O[Si](C)(C)C(C)(C)C)C3)c([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 10/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GPR174 Q9BXC1 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MET P08581 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PIK3CD O00329 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
SCHEMBL17373883 1.00 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL17373886 0.90 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL17373888 0.90 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL17373875 0.86 MAPT (0.34) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL17373873 0.86 MAPT (0.34) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18207831 0.86 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18207832 0.86 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL17373812 0.85 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTGPR174SMN1; SMN2
SCHEMBL17373811 0.85 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTGPR174SMN1; SMN2
SCHEMBL17373943 0.85 SMN1; SMN2 (0.35) ALDH1A1MAPTHTTGPR174SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-06-01 — — US disclosed
EP-3157521-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2017-04-26 — — EP disclosed
WO-2015193846-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-12-23 — — 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-20170152263-A1 Substituted Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK2 ALDH1A1 1980/4885MAPT 1391/4885MEN1 3503/4885

“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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