SCHEMBL3085877

SCHEMBL3085877

CN1CCN(c2cnc3ccc(-c4ccc(N)nc4)cc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.57
HTR3A P46098 2/20 0.57
DYRK1A Q13627 2/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
MET P08581 5/20 0.45
ATM Q13315 1/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.42
MAP4K4 O95819 1/20 0.42
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3079624 0.83 HRH4 (0.54) HRH4HTR3ADYRK1ACLK2CLK3
SCHEMBL1442666 0.82 HRH4 (0.59) HRH4HTR3AMETHPGD
SCHEMBL3088520 0.82 HRH4 (0.53) HRH4HTR3AMETATMPIK3CD
SCHEMBL3087242 0.82 HRH4 (0.53) HRH4HTR3AMETHRH3HPGD
SCHEMBL3085568 0.82 CNR2 (0.54) HRH4HTR3AATMPIK3CAPIK3CD
SCHEMBL30833763 0.81 HRH4 (0.66) HRH4HTR3AMETHRH3HPGD
SCHEMBL29190636 0.81 HRH4 (0.66) HRH4HTR3AMETHRH3HPGD
SCHEMBL12928481 0.81 PI4KA (0.55) HRH4HTR3APIK3CAPIK3CDPIK3CB
SCHEMBL12928475 0.81 PIK3CA (0.58) HRH4HTR3AMETPIK3CAPIK3CD
SCHEMBL12927771 0.81 HRH4 (0.52) HRH4HTR3AMETPIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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 (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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HRH4 873/4885HTR3A 787/4885DYRK1A 859/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HRH4 873/4885HTR3A 787/4885DYRK1A 859/4885

“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.