SCHEMBL6710113

SCHEMBL6710113

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2cccc(OC[C@H](O)CO)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.39
GRM4 Q14833 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PHGDH O43175 1/20 0.33
TLR4 O00206 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL6710121 1.00 IRAK4 (0.39) IRAK4GRM4MAPTLMNAPPARG
SCHEMBL6708547 0.92 GRM4 (0.36) IRAK4GRM4MAPTLMNAPPARG
SCHEMBL6710199 0.91 HIF1A (0.35) IRAK4MAPTLMNARXFP1KDM4E
SCHEMBL6710196 0.91 HIF1A (0.35) IRAK4MAPTLMNARXFP1KDM4E
SCHEMBL6919505 0.89 F10 (0.36) IRAK4F10
SCHEMBL6710200 0.89 ALK (0.38) IRAK4MAPTLMNARXFP1KDM4E
SCHEMBL6710191 0.89 ALK (0.38) IRAK4MAPTLMNARXFP1KDM4E
SCHEMBL6707977 0.88 IRAK4 (0.37) IRAK4GRM4MAPTLMNAF10
SCHEMBL6707711 0.86 MAPT (0.39) GRM4MAPTLMNAPOLBG6PD
SCHEMBL6711705 0.86 MAPT (0.36) IRAK4GRM4MAPTLMNARXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US 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 (1 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 IRAK4 1592/4885GRM4 4668/4885MAPT 4754/4885

“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.