SCHEMBL16899208

SCHEMBL16899208

O=[N+]([O-])c1cc2cnn(C3CCCC3)c2cc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 3/20 0.36
TP53 P04637 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.34
PDE9A O76083 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL16898982 0.95 MAPT (0.38) MAPTPKMMAPK1TP53PIK3CD
SCHEMBL30896367 0.90 PIK3CD (0.44) MAPTMAPK1PIK3CDPDE9AKMT2A
SCHEMBL30896414 0.85 PIK3CD (0.39) MAPTPKMMAPK1PIK3CAPIK3CD
SCHEMBL16899249 0.84 ALDH1A1 (0.39) MAPTPIK3CAALDH1A1POLBNPC1
SCHEMBL16899026 0.84 VCAM1 (0.40) MAPTMAPK1PIK3CAPIK3CDSMN1; SMN2
SCHEMBL21797036 0.84 RXRA (0.47) MAPTPKMMAPK1TP53ALDH1A1
SCHEMBL30959605 0.84 RXRA (0.47) MAPTPKMMAPK1TP53ALDH1A1
SCHEMBL16898865 0.83 SLC18A3 (0.36) MAPTPIK3CAPIK3CDALDH1A1POLB
SCHEMBL16898874 0.81 MEN1 (0.44) MAPTPIK3CAPIK3CDALDH1A1POLB
SCHEMBL16898828 0.80 ALDH1A1 (0.48) MAPTMAPK1ALDH1A1POLBSMN1; 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 MAPT 1817/4885PKM 518/4885MAPK1 239/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAPT 1817/4885PKM 518/4885MAPK1 239/4885

“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.