SCHEMBL16898916

SCHEMBL16898916

COCCn1nc(C)c2cc([N+](=O)[O-])c(N3CCC(CO[Si](C)(C)C(C)(C)C)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 9/20 0.33
▸ HTT P42858 4/20 0.32
▸ TP53 P04637 2/20 0.32
▸ HRAS P01112 1/20 0.32
▸ GPR174 Q9BXC1 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CTSS P25774 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ FKBP1A P62942 1/20 0.31
▸ CTSB P07858 1/20 0.31

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
SCHEMBL16899215 0.88 MAPT (0.34) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL16898657 0.88 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL16898820 0.85 SCN9A (0.32) FKBP1A
SCHEMBL16898929 0.85 MAPT (0.38) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL18889901 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL16899162 0.84 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL16899004 0.83 MAPT (0.41) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL16898861 0.80 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL16898863 0.79 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL18889885 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1MAPTHTT

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 SMN1; SMN2 1117/4885KMT2A 341/4885MEN1 2151/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 SMN1; SMN2 1117/4885KMT2A 341/4885MEN1 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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