SCHEMBL18207832

SCHEMBL18207832

Cn1ncc2cc([N+](=O)[O-])c(N3CCC(O[Si](C)(C)C(C)(C)C)C3)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 9/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ S100A4 P26447 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ GPR174 Q9BXC1 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
SCHEMBL18207831 1.00 KMT2A (0.35) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL17373888 0.96 KMT2A (0.35) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL17373886 0.96 KMT2A (0.35) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL16899222 0.94 MAPT (0.36) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL16899093 0.94 MAPT (0.36) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL16898950 0.94 KMT2A (0.39) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL16898771 0.92 MAPT (0.33) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL17373883 0.86 ALDH1A1 (0.34) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL17373880 0.86 ALDH1A1 (0.34) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL17373873 0.85 MAPT (0.34) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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
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
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 — — US 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 KMT2A 341/4885MEN1 2151/4885SMN1; SMN2 1117/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 KMT2A 341/4885MEN1 2151/4885SMN1; SMN2 1117/4885

“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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