SCHEMBL16898952

SCHEMBL16898952

CC(C)(C)[Si](C)(C)OC1CCCN(c2cc3[nH]ncc3cc2[N+](=O)[O-])C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ CCR2 P41597 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ MAPT P10636 8/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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 1.00 LMNA (0.36) LMNAALDH1A1TDP1ROCK2CCR2
SCHEMBL17373952 0.90 MEN1 (0.36) LMNAALDH1A1ROCK2CCR2ROCK1
SCHEMBL17373953 0.90 MEN1 (0.36) LMNAALDH1A1ROCK2CCR2ROCK1
SCHEMBL16899034 0.90 ALDH1A1 (0.38) LMNAALDH1A1TDP1ROCK2CCR2
SCHEMBL16899214 0.88 MEN1 (0.39) LMNAALDH1A1MAPTMEN1POLB
SCHEMBL18889899 0.84 MEN1 (0.39) LMNAALDH1A1MAPTMEN1POLB
SCHEMBL16899093 0.82 MAPT (0.36) LMNAALDH1A1TDP1MAPTMEN1
SCHEMBL16899222 0.82 MAPT (0.36) LMNAALDH1A1TDP1MAPTMEN1
SCHEMBL18207793 0.81 MAPT (0.36) LMNAALDH1A1TDP1MAPTMEN1
SCHEMBL16898836 0.81 MAPT (0.36) LMNAALDH1A1TDP1MAPTMEN1

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 LMNA 1599/4885ALDH1A1 1904/4885TDP1 646/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 LMNA 1599/4885ALDH1A1 1904/4885TDP1 646/4885

“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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