SCHEMBL86245

SCHEMBL86245

Cc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.42
METTL3 Q86U44 1/20 0.40
CHEK2 O96017 1/20 0.38
KDM1A O60341 1/20 0.37
PRMT5 O14744 1/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2RL3 Q96RI0 4/20 0.35
NAMPT P43490 1/20 0.35
HCRTR2 O43614 4/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL2121861 0.85 KDM4E (0.53) PDE8BMETTL3KDM1APRMT5KDM4E
SCHEMBL2538398 0.85 PDE8B (0.42) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL12225864 0.82 PDE8B (0.43) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL2533053 0.82 METTL3 (0.43) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL7797391 0.82 KDM4E (0.44) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL2512317 0.82 PDE8B (0.42) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL86137 0.81 PDE8B (0.42) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL2122898 0.80 METTL3 (0.43) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL311400 0.80 METTL3 (0.42) PDE8BMETTL3CHEK2KDM1APRMT5
SCHEMBL2512853 0.79 METTL3 (0.45) PDE8BMETTL3CHEK2KDM1APRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 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 (2 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-20110288098-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 PDE8B 328/4885METTL3 3733/4885CHEK2 3412/4885
US-20100160345-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 PDE8B 328/4885METTL3 3733/4885CHEK2 3412/4885

“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.