SCHEMBL3877790

SCHEMBL3877790

CCOc1ccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.52
PIK3CA P42336 5/20 0.49
MTOR P42345 4/20 0.49
PIK3R1 P27986 2/20 0.49
HSD17B10 Q99714 7/20 0.48
HPGD P15428 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
STAT1 P42224 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
SCHEMBL3888946 0.89 PIK3CA (0.57) MEN1KMT2AMAPTPIK3CAMTOR
SCHEMBL3993508 0.89 NPY1R (0.48) MEN1KMT2AMAPTPIK3CAMTOR
SCHEMBL13761287 0.85 HTT (0.61) KMT2AMAPTPIK3CAMTORPIK3R1
SCHEMBL3887621 0.83 PIK3CA (0.58) MAPTPIK3CAMTORPIK3R1HSD17B10
SCHEMBL3876007 0.82 MEN1 (0.51) MEN1KMT2AMAPTPIK3CAMTOR
SCHEMBL3879447 0.80 HSD17B10 (0.54) KMT2AMAPTPIK3CAMTORPIK3R1
SCHEMBL3881883 0.80 PIK3CA (0.49) MAPTPIK3CAMTORHSD17B10HPGD
SCHEMBL3880878 0.78 PIK3CA (0.60) MEN1KMT2AMAPTPIK3CAMTOR
SCHEMBL3880853 0.78 ALDH1A1 (0.50) MAPTPIK3CAMTORPIK3R1HSD17B10
SCHEMBL3877695 0.78 PIK3CA (0.48) MAPTPIK3CAMTORPIK3R1HSD17B10

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 4708/4885KMT2A 3700/4885MAPT 4004/4885

“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.