SCHEMBL3881872

SCHEMBL3881872

CN(C)c1cccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
MTOR P42345 2/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATR Q13535 1/20 0.47
ATRIP Q8WXE1 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PIK3CD O00329 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
PIK3R1 P27986 2/20 0.43

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
SCHEMBL3880588 0.89 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL3888339 0.86 ACHE (0.56) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL13761287 0.84 HTT (0.61) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL3879427 0.84 PIK3CA (0.52) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL3878772 0.84 CNR2 (0.57) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL14614250 0.84 PIK3CA (0.69) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL3881883 0.83 PIK3CA (0.49) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL3878245 0.83 PIK3CA (0.49) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL3876574 0.83 PIK3CA (0.49) PIK3CAMTORPIK3CBPIK3CGHSD17B10
SCHEMBL3993508 0.81 NPY1R (0.48) PIK3CAMTORPIK3CBPIK3CGHSD17B10

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-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US claimed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG PIK3CA 1107/4885MTOR 2949/4885PIK3CB 1514/4885

“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.