SCHEMBL3879448

SCHEMBL3879448

C[C@@H]1CN(c2nccnc2Cl)CCN1c1cc(-c2ccc(F)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.40
PIK3CA P42336 5/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 1/20 0.40
MAP3K12 Q12852 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
WDR5 P61964 1/20 0.37
SMO Q99835 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3991603 0.93 HSD17B10 (0.43) KDM4EL3MBTL1MAP3K12MAPK1HSD17B10
SCHEMBL3881049 0.92 MTOR (0.40) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3877815 0.92 MTOR (0.40) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL13761564 0.92 MTOR (0.40) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3879244 0.91 MTOR (0.39) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3879422 0.91 MTOR (0.41) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3877699 0.91 MTOR (0.39) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3877679 0.91 MTOR (0.39) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3884807 0.91 MTOR (0.39) MTORPIK3CAKDM4EL3MBTL1TDP1
SCHEMBL3876090 0.90 TRPV1 (0.47) MTORPIK3CAKDM4EL3MBTL1TDP1

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 6 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
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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 MTOR 2949/4885PIK3CA 1107/4885KDM4E 3890/4885

“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.