SCHEMBL3879003

SCHEMBL3879003

N#Cc1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.46
PIK3CA P42336 6/20 0.46
LRRK2 Q5S007 2/20 0.45
MTOR P42345 3/20 0.43
MAP3K12 Q12852 1/20 0.42
MAP3K8 P41279 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3877751 0.89 PIK3CA (0.50) MALT1PIK3CAMTORMAP3K12
SCHEMBL3887144 0.89 PIK3CA (0.50) PIK3CAMTORMAP3K12
SCHEMBL3877301 0.87 PIK3CA (0.48) PIK3CAMTORMAP3K12KDM4EL3MBTL1
SCHEMBL3879387 0.87 PIK3CA (0.49) MALT1PIK3CALRRK2MTORMAP3K12
SCHEMBL3888444 0.85 TRPV1 (0.49) PIK3CAMTORMAP3K12
SCHEMBL3878644 0.85 TRPV1 (0.49) PIK3CAMTORMAP3K12
SCHEMBL4151864 0.84 MTOR (0.46) PIK3CAMTORMAP3K12KDM4EL3MBTL1
SCHEMBL907686 0.84 MTOR (0.47) PIK3CAMTORMAP3K12
SCHEMBL3884319 0.84 PIK3CA (0.52) MALT1PIK3CAMTORMAP3K12KDM4E
SCHEMBL13761444 0.83 MALT1 (0.47) MALT1DRD2HTR2AKDM4E

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 MALT1 1393/4885PIK3CA 1107/4885LRRK2 1804/4885

“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.