SCHEMBL1128927

SCHEMBL1128927

Clc1n[nH]c2ncncc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.38
RET P07949 1/20 0.35
PI4KA P42356 1/20 0.35
XDH P47989 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33
CHEK1 O14757 2/20 0.32
PDPK1 O15530 1/20 0.32
AURKA O14965 1/20 0.32
GRM4 Q14833 1/20 0.31
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL30034235 0.79 PDPK1 (0.36) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL2619222 0.79 PDPK1 (0.36) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL31001140 0.78 RET (0.52) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL1321549 0.78 RET (0.52) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL3986884 0.77 RET (0.36) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL5246712 0.75 RET (0.35) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL6886746 0.75 RET (0.35) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL5705726 0.75 RET (0.35) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL29760827 0.75 RET (0.35) RPS6KA5RETPI4KAXDHLRRK2
SCHEMBL6055040 0.74 MKNK1 (0.41) RPS6KA5MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 RPS6KA5 2103/4885RET 626/4885PI4KA 3011/4885

“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.