SCHEMBL16898808

SCHEMBL16898808

COCCn1ncc2cc(N)c(N3CCC(NC(=O)O)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LGMN Q99538 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ SHMT2 P34897 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SMO Q99835 1/20 0.34
▸ MCHR2 Q969V1 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL16898901 0.85 MAPT (0.43) MAOAMAOBMAPT
SCHEMBL16898965 0.81 MAOB (0.37) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL16898783 0.80 IRAK4 (0.37) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL16899142 0.77 MET (0.34) MAOAMAOB
SCHEMBL16899263 0.76 FKBP1A (0.31) MAOAMAOB
SCHEMBL16899147 0.75 SMPD3 (0.38) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL16899259 0.74 IRAK4 (0.51) —
SCHEMBL31717232 0.71 MAOB (0.42) MAOAMAOBALDH1A1HPGDHTR4
SCHEMBL16898983 0.70 MAPT (0.43) ALDH1A1MAPTMAPK1
SCHEMBL16898804 0.69 MET (0.34) —

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 MAOA 3593/4885MAOB 3038/4885KDM4E 383/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 MAOA 3593/4885MAOB 3038/4885KDM4E 383/4885

“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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