SCHEMBL16899031

SCHEMBL16899031

Nc1cc2cn(C3CCCC3)nc2cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.36
SYK P43405 1/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
RGS12 O14924 2/20 0.33
USP2 O75604 2/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AADAT Q8N5Z0 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
SCHEMBL20377779 0.82 IRAK4 (0.35) TLR8IRAK4
SCHEMBL16898919 0.78 ALDH1A1 (0.34) TLR8SYKRAB9AALDH1A1IRAK4
SCHEMBL16898975 0.78 KDM4E (0.47) ALDH1A1KDM4EMAPT
SCHEMBL16898906 0.78 ALDH1A1 (0.44) RAB9AALDH1A1RGS12USP2KEAP1
SCHEMBL16898626 0.77 ALDH1A1 (0.38) SYKRAB9AALDH1A1RGS12USP2
SCHEMBL26406844 0.77 ALDH1A1 (0.38) SYKRAB9AALDH1A1RGS12USP2
SCHEMBL26385640 0.76 IRAK4 (0.43) SYKRAB9AALDH1A1IRAK4RGS12
SCHEMBL16898972 0.76 SLC18A3 (0.36) TLR8SYKRAB9AALDH1A1IRAK4
SCHEMBL20377818 0.75 IRAK4 (0.42) ALDH1A1IRAK4USP2KDM4EMEN1
SCHEMBL15911104 0.75 KDM4E (0.43) TLR8SYKRAB9AALDH1A1RGS12

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 6 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
CN-106458982-A Indazole compounds as irak4 inhibitors 奥列基因发现技术有限公司 2017-02-22 CN 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 TLR8 88/4885SYK 24/4885RAB9A 3562/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 TLR8 88/4885SYK 24/4885RAB9A 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.