SCHEMBL234660

SCHEMBL234660

Nc1c(C=O)cnc2ccnn12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.49
KDR P35968 9/20 0.40
MKNK1 Q9BUB5 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
KLK7 P49862 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 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
SCHEMBL25607458 0.80 DGAT1 (0.48) DGAT1KDRMKNK1KLK7LRRK2
SCHEMBL31174790 0.79 DGAT1 (0.37) DGAT1KDRMKNK1CCR1CCR5
SCHEMBL25604903 0.79 DGAT1 (0.47) DGAT1KDRMKNK1
SCHEMBL238727 0.76 DGAT1 (0.56) DGAT1KDRMKNK1LRRK2
SCHEMBL33377880 0.73 DGAT1 (0.53) DGAT1KDRMKNK1
SCHEMBL1759113 0.71 KDM4E (0.48) DGAT1KDR
SCHEMBL240099 0.71 NPC1 (0.49)
SCHEMBL2755258 0.71 ALDH1A1 (0.46) DGAT1KDR
SCHEMBL15331243 0.70 ALDH1A1 (0.46)
SCHEMBL12647975 0.70 DGAT1 (0.43) DGAT1KDR

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-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 DGAT1 2268/4885KDR 2067/4885MKNK1 160/4885

“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.