SCHEMBL16899034

SCHEMBL16899034

CC(C)(C)[Si](C)(C)OC1CN(c2cc3[nH]ncc3cc2[N+](=O)[O-])C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 5/20 0.36
▸ NOS1 P29475 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HSF1 Q00613 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIM3 Q86V86 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL16898951 0.90 LMNA (0.36) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL16898952 0.90 LMNA (0.36) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL16899214 0.90 MEN1 (0.39) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL17373952 0.88 MEN1 (0.36) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL17373953 0.88 MEN1 (0.36) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL18889899 0.85 MEN1 (0.39) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL16899220 0.80 SMN1; SMN2 (0.43) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL16898771 0.80 MAPT (0.33) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL16899169 0.79 MAPT (0.43) ALDH1A1MAPTNOS1CYP3A4LMNA
SCHEMBL16898839 0.79 MAPT (0.40) ALDH1A1MAPTLMNAPOLBMEN1

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-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 — — EP disclosed
US-10160753-B2 Indazole compounds as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-25 — — US disclosed
EP-3092226-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-16 — — EP disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 — — US disclosed
WO-2015104662-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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 (2 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-10160753-B2 Indazole compounds as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ALDH1A1 1904/4885MAPT 1817/4885NOS1 1774/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 ALDH1A1 1904/4885MAPT 1817/4885NOS1 1774/4885

“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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