SCHEMBL3880646

SCHEMBL3880646

FC(F)(F)c1cccnc1N1CCN(c2cc(-c3cccnc3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.52
MTOR P42345 4/20 0.52
PIK3R1 P27986 4/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 2/20 0.52
PIK3CD O00329 1/20 0.52
PIK3C2B O00750 1/20 0.52
AKR1C3 P42330 1/20 0.52
PRKDC P78527 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
PIK3R5 Q8WYR1 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
MAP3K12 Q12852 1/20 0.48
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPV1 Q8NER1 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3881496 0.91 NPSR1 (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3877892 0.91 NPSR1 (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3889288 0.90 MTOR (0.54) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3944539 0.89 PIK3R1 (0.48) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL14613929 0.89 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3880780 0.89 GALR2 (0.49) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3878828 0.89 PIK3R1 (0.50) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3882796 0.89 PIK3R1 (0.50) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3881754 0.88 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL3883415 0.88 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CBPIK3CG

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 PIK3CA 1107/4885MTOR 2949/4885PIK3R1 1228/4885

“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.