SCHEMBL3877892

SCHEMBL3877892

FC(F)(F)c1cccnc1N1CCN(c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PIK3CA P42336 4/20 0.52
PIK3R1 P27986 3/20 0.52
PIK3CB P42338 2/20 0.52
MTOR P42345 2/20 0.52
PIK3CD O00329 1/20 0.52
PIK3C2B O00750 1/20 0.52
AKR1C3 P42330 1/20 0.52
PIK3CG P48736 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

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 1.00 NPSR1 (0.58) NPSR1ATMTDP1L3MBTL1MAPT
SCHEMBL3889288 0.93 MTOR (0.54) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3888902 0.92 PIK3CA (0.50) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3879827 0.92 PIK3CA (0.50) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL13761268 0.92 TRPV1 (0.56) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3878577 0.91 GALR2 (0.54) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3880646 0.91 PIK3CA (0.52) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3880030 0.91 TRPV1 (0.50) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3880649 0.91 TRPV1 (0.50) NPSR1ATMTDP1L3MBTL1PIK3CA
SCHEMBL3877917 0.91 PIK3CA (0.53) NPSR1ATMTDP1L3MBTL1TSHR

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 NPSR1 264/4885ATM 4471/4885TDP1 4230/4885

“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.