SCHEMBL1925934

SCHEMBL1925934

Cn1nccc1-n1cccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
COMT P21964 1/20 0.35
GPR52 Q9Y2T5 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NAMPT P43490 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
MAPK1 P28482 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL4212244 0.74 NOTUM (0.42) KCNH2COMTHTTKDM4EGAA
SCHEMBL31069529 0.70 HTT (0.43) HTTGAAALDH1A1RAB9A
SCHEMBL30233063 0.70 KCNH2 (0.32) KCNH2COMT
SCHEMBL1572490 0.69 CCNC (0.40) HTTL3MBTL1
SCHEMBL14938083 0.67 MAOA (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25888995 0.67 CHKA (0.40) KCNH2COMTKDM4EGAAALDH1A1
SCHEMBL20249976 0.66 KCNH2 (0.38) KCNH2COMT
SCHEMBL9373052 0.66 KCNH2 (0.32) KCNH2COMT
SCHEMBL8404558 0.65
SCHEMBL22503854 0.65 ROCK2 (0.41) KCNH2COMTHTTKDM4EGAA

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-20110129455-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-02 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-20110129455-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PI4KB KCNH2 4714/4885COMT 3468/4885GPR52 3450/4885

“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.