SCHEMBL3876007

SCHEMBL3876007

c1ccc(N2CCN(c3nc(-c4ccc5ccccc5c4)nc(N4CCOCC4)n3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
PIK3CA P42336 10/20 0.50
MTOR P42345 6/20 0.50
PIK3R1 P27986 3/20 0.50
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PIK3CG P48736 3/20 0.48
PIK3CB P42338 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48
PIK3CD O00329 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL13761287 0.86 HTT (0.61) KMT2APIK3CAMTORPIK3R1HSD17B10
SCHEMBL3877695 0.86 PIK3CA (0.48) POLBPIK3CAMTORPIK3R1HSD17B10
SCHEMBL3887621 0.84 PIK3CA (0.58) PIK3CAMTORPIK3R1HSD17B10HPGD
SCHEMBL3888339 0.84 ACHE (0.56) MEN1POLBKMT2APIK3CAMTOR
SCHEMBL14614250 0.84 PIK3CA (0.69) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL3878772 0.84 CNR2 (0.57) KMT2APIK3CAMTORHSD17B10HPGD
SCHEMBL3879427 0.84 PIK3CA (0.52) PIK3CAMTORPIK3R1HSD17B10HPGD
SCHEMBL3888946 0.84 PIK3CA (0.57) MEN1KMT2APIK3CAMTORPIK3R1
SCHEMBL3879447 0.83 HSD17B10 (0.54) POLBKMT2APIK3CAMTORPIK3R1
SCHEMBL3889336 0.83 HSD17B10 (0.49) PIK3CAMTORPIK3R1HSD17B10HPGD

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 MEN1 4708/4885POLB 3049/4885KMT2A 3700/4885

“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.