SCHEMBL16898710

SCHEMBL16898710

O=[N+]([O-])c1cc2cn(C3CCCC3)nc2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.41
PGK1 P00558 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
GSR P00390 1/20 0.35
TXNRD1 Q16881 1/20 0.35
VCAM1 P19320 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 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
SCHEMBL20606659 0.90 IRAK4 (0.47) IRAK4PGK1LMNAALDH1A1EGLN1
SCHEMBL20606421 0.90 IRAK4 (0.51) IRAK4PGK1LMNAALDH1A1MAPT
SCHEMBL20769429 0.89 IRAK4 (0.42) IRAK4PGK1LMNAALDH1A1EGLN1
SCHEMBL16898972 0.87 SLC18A3 (0.36) IRAK4ALDH1A1MAPTMEN1KMT2A
SCHEMBL16898992 0.84 MAPT (0.37) IRAK4ALDH1A1MAPTMEN1KMT2A
SCHEMBL16898922 0.84 IRAK4 (0.35) IRAK4LMNAALDH1A1MAPTHTT
SCHEMBL31210893 0.83 LMNA (0.36) IRAK4PGK1LMNAALDH1A1EGLN1
SCHEMBL16899130 0.81 GRIA1 (0.49) IRAK4LMNAALDH1A1VCAM1MAPT
SCHEMBL16898813 0.80 ALDH1A1 (0.48) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25597126 0.80 IRAK4 (0.46) IRAK4LMNAALDH1A1MAPT

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 IRAK4 1/4885PGK1 3048/4885LMNA 1599/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 IRAK4 1/4885PGK1 3048/4885LMNA 1599/4885

“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.