SCHEMBL16898836

SCHEMBL16898836

Cn1cc2cc([N+](=O)[O-])c(N3CCCC(O[Si](C)(C)C(C)(C)C)C3)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 10/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 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
▸ HPGD P15428 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
SCHEMBL18207793 1.00 MAPT (0.36) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL17373742 0.96 MAPT (0.36) MAPTLMNAALDH1A1TDP1MEN1
SCHEMBL18207761 0.94 MAPT (0.37) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL16898713 0.94 MAPT (0.37) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL18207853 0.94 MAPT (0.37) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL17373777 0.90 MAPT (0.37) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL18889888 0.90 MAPT (0.37) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL16898839 0.90 MAPT (0.40) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16898741 0.88 MEN1 (0.39) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL16898925 0.84 SMN1; SMN2 (0.35) MAPTLMNAALDH1A1TDP1MEN1

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 1817/4885LMNA 1599/4885ALDH1A1 1904/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885LMNA 1599/4885ALDH1A1 1904/4885

“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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