SCHEMBL2821376

SCHEMBL2821376

COc1cnc2ccc(=O)n3c2c1CC3CN1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.35
DPP4 P27487 1/20 0.33
KCNH2 Q12809 6/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MELK Q14680 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 2/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 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
SCHEMBL4203330 0.84 KCNH2 (0.36) MTORDPP4KCNH2
SCHEMBL2822698 0.80 MTOR (0.37) MTORKCNH2
SCHEMBL2822712 0.77 KCNH2 (0.57) KCNH2
SCHEMBL3612945 0.77 KCNH2 (0.36) MTORDPP4KCNH2
Hydrochloric Acid SCHEMBL2821412 0.77 KCNH2 (0.57) KCNH2
SCHEMBL2818718 0.76 KCNH2 (0.57) KCNH2
Hydrochloric Acid SCHEMBL2819073 0.75 KCNH2 (0.56) KCNH2
Hydrochloric Acid SCHEMBL3607827 0.71 KCNH2 (0.38) MTORKCNH2
Hydrochloric Acid SCHEMBL3611488 0.71 KCNH2 (0.38) MTORKCNH2
Hydrochloric Acid SCHEMBL3611995 0.71 KCNH2 (0.37) MTORKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2041145-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 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 (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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT MTOR 205/4885DPP4 652/4885KCNH2 2592/4885

“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.