SCHEMBL3880588

SCHEMBL3880588

CN(C)c1cccc(-c2cc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.57
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAP3K12 Q12852 1/20 0.48
PIK3CB P42338 5/20 0.47
PIK3CG P48736 5/20 0.47
MTOR P42345 3/20 0.47
ATR Q13535 1/20 0.47
ATRIP Q8WXE1 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL3881872 0.89 PIK3CA (0.49) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL3878726 0.85 PIK3CA (0.60) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL1821190 0.85 PIK3CA (0.81) PIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3881709 0.84 TSHR (0.61) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL3877343 0.81 PIK3CA (0.55) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL3881560 0.81 PIK3CA (0.55) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL3877825 0.80 HSD17B10 (0.57) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL3882230 0.80 HSD17B10 (0.57) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL1124002 0.80 HPGD (0.60) PIK3CAMAPTTSHRHSD17B10KDM4E
SCHEMBL1123454 0.80 HPGD (0.60) PIK3CAMAPTTSHRHSD17B10KDM4E

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 1107/4885MAPT 4004/4885TSHR 74/4885

“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.