SCHEMBL3879917

SCHEMBL3879917

N#Cc1cccc(-c2cc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.53
PIK3CA P42336 5/20 0.50
GALR2 O43603 3/20 0.46
GALR1 P47211 3/20 0.46
PIK3CG P48736 2/20 0.46
PIK3R1 P27986 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3C2B O00750 1/20 0.46
AKR1C3 P42330 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HSD11B1 P28845 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
LRRK2 Q5S007 2/20 0.44
MST1 P26927 1/20 0.44
STK4 Q13043 1/20 0.44

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
SCHEMBL3877122 1.00 PDE4D (0.53) PDE4DPIK3CAGALR2GALR1PIK3CG
SCHEMBL3877917 0.88 PIK3CA (0.53) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3881754 0.88 PIK3CA (0.53) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3880818 0.88 PIK3CA (0.53) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3883415 0.88 PIK3CA (0.53) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3877376 0.88 PIK3CA (0.52) PDE4DPIK3CAPIK3CGMTORHSD11B1
SCHEMBL3877892 0.87 NPSR1 (0.58) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3881496 0.87 NPSR1 (0.58) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3891305 0.87 GALR2 (0.53) PIK3CAGALR2GALR1PIK3CGPIK3R1
SCHEMBL3880843 0.87 PIK3CA (0.53) PIK3CAGALR2GALR1PIK3CGPIK3R1

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 4 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 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 PDE4D 695/4885PIK3CA 1107/4885GALR2 171/4885

“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.