SCHEMBL16898972

SCHEMBL16898972

O=[N+]([O-])c1cc2cn(C3CCCC3)nc2cc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.36
MAPT P10636 4/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
KMT2A Q03164 1/20 0.34
IRAK4 Q9NWZ3 7/20 0.33
TLR8 Q9NR97 2/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SYK P43405 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
SCHEMBL16898710 0.87 IRAK4 (0.41) MAPTALDH1A1MEN1KMT2AIRAK4
SCHEMBL20377768 0.85 L3MBTL3 (0.34) SLC18A3ALDH1A1MEN1KMT2AIRAK4
SCHEMBL16898922 0.84 IRAK4 (0.35) MAPTRAB9AALDH1A1IRAK4TLR8
SCHEMBL16898992 0.84 MAPT (0.37) MAPTRAB9AALDH1A1MEN1NPY1R
SCHEMBL16898968 0.82 MAPT (0.51) SLC18A3MAPTRAB9AALDH1A1MEN1
SCHEMBL16899130 0.81 GRIA1 (0.49) MAPTALDH1A1MEN1KMT2AIRAK4
SCHEMBL16898813 0.80 ALDH1A1 (0.48) MAPTALDH1A1HSP90AA1POLBSMN1; SMN2
SCHEMBL25597126 0.80 IRAK4 (0.46) MAPTALDH1A1IRAK4POLB
SCHEMBL20606659 0.78 IRAK4 (0.47) ALDH1A1IRAK4SMN1; SMN2
SCHEMBL16898903 0.77 MAPT (0.47) MAPTALDH1A1IRAK4SMN1; SMN2

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 SLC18A3 4793/4885MAPT 1817/4885RAB9A 3562/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 SLC18A3 4793/4885MAPT 1817/4885RAB9A 3562/4885

“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.