SCHEMBL3095779

SCHEMBL3095779

CN(C)C1CCN(c2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
HRH4 Q9H3N8 3/20 0.42
HTR3A P46098 1/20 0.42
MAP4K4 O95819 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIT P10721 5/20 0.37

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
SCHEMBL3086172 0.85 MAP4K4 (0.42) HTTMEN1POLBKMT2AIRAK4
SCHEMBL3091595 0.82 HRH4 (0.38) HTTMEN1POLBKMT2AHRH4
SCHEMBL29780593 0.80 HRH4 (0.66) HTTMEN1KMT2AHRH4HTR3A
SCHEMBL2621746 0.80 HRH4 (0.66) HTTMEN1KMT2AHRH4HTR3A
SCHEMBL1442947 0.79 L3MBTL1 (0.48) HTTMEN1KMT2AHRH4HTR3A
SCHEMBL28750186 0.79 HRH4 (0.51) HTTMEN1POLBKMT2AHRH4
SCHEMBL30682080 0.77 MAP4K4 (0.47) HTTHRH4HTR3AMAP4K4ALDH1A1
SCHEMBL1442764 0.77 SMN1; SMN2 (0.49) HTTMEN1KMT2AHRH4HTR3A
SCHEMBL29414460 0.77 SMN1; SMN2 (0.49) HTTMEN1KMT2AHRH4HTR3A
SCHEMBL3088100 0.77 HTT (0.51) HTTMEN1KMT2AHRH4HTR3A

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-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US 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

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 HTT 1445/4885MEN1 1927/4885POLB 2496/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HTT 1445/4885MEN1 1927/4885POLB 2496/4885

“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.