SCHEMBL16899093

SCHEMBL16899093

Cn1ncc2cc([N+](=O)[O-])c(N3CCCC(O[Si](C)(C)C(C)(C)C)C3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.36
▸ ALDH1A1 P00352 8/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL16899222 1.00 MAPT (0.36) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL18207831 0.94 KMT2A (0.35) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL18207832 0.94 KMT2A (0.35) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL17373888 0.91 KMT2A (0.35) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL17373886 0.91 KMT2A (0.35) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16898771 0.90 MAPT (0.33) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16898950 0.89 KMT2A (0.39) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16898836 0.82 MAPT (0.36) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL18207793 0.82 MAPT (0.36) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16898952 0.82 LMNA (0.36) MAPTALDH1A1MEN1KMT2AHTT

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 MAPT 1817/4885ALDH1A1 1904/4885MEN1 2151/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885ALDH1A1 1904/4885MEN1 2151/4885

“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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