SCHEMBL3084337

SCHEMBL3084337

CC(C)(C)N(CCN1CCN(c2cnc3ccc(Br)cc3n2)CC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
HTR3A P46098 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HTT P42858 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
HTR7 P34969 1/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3087779 0.79 PIK3CB (0.40) NPC1RAB9AHCAR2
SCHEMBL3095045 0.79 HTR1A (0.47) NPC1RAB9AMAPTTP53HTT
SCHEMBL3632714 0.77 MAPT (0.42) NPC1RAB9AMAPTTP53HRH4
SCHEMBL15141001 0.75 HCAR2 (0.50) NPC1RAB9AMAPTHRH4HTR3A
SCHEMBL2621746 0.74 HRH4 (0.66) NPC1RAB9AMAPTHRH4HTR3A
SCHEMBL29780593 0.74 HRH4 (0.66) NPC1RAB9AMAPTHRH4HTR3A
SCHEMBL15141123 0.73 CKS1B (0.57) NPC1RAB9AHCAR2
SCHEMBL15152261 0.71 HCAR2 (0.39) NPC1RAB9AMAPTHRH4HTR3A
SCHEMBL3095779 0.69 HTT (0.43) NPC1RAB9AMAPTHRH4HTR3A
SCHEMBL1442947 0.69 L3MBTL1 (0.48) NPC1RAB9AMAPTHRH4HTR3A

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 1 patent. 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

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-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG NPC1 4578/4885RAB9A 385/4885MAPT 3879/4885

“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.