SCHEMBL3095045

SCHEMBL3095045

O=C(O)NCCN1CCN(c2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DRD3 P35462 4/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 2/20 0.40
RAD52 P43351 2/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL15141001 0.79 HCAR2 (0.50) MAPTNPC1RAB9AUSP2ALDH1A1
SCHEMBL3632714 0.79 MAPT (0.42) MAPTTP53NPC1RAB9AUSP2
SCHEMBL3084337 0.79 NPC1 (0.39) HTR1AMAPTTP53NPC1RAB9A
SCHEMBL2621746 0.76 HRH4 (0.66) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL29780593 0.76 HRH4 (0.66) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL5188378 0.73 DRD2 (0.60) MAPTDRD3DRD2
SCHEMBL1442947 0.73 L3MBTL1 (0.48) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL3094939 0.72 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL1442764 0.71 SMN1; SMN2 (0.49) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL29414460 0.71 SMN1; SMN2 (0.49) MAPTNPC1RAB9AALDH1A1HPGD

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 HTR1A 1671/4885MAPT 3879/4885TP53 1243/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HTR1A 1671/4885MAPT 3879/4885TP53 1243/4885

“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.