SCHEMBL3879244

SCHEMBL3879244

Cc1ccc(-c2cc(N3CCN(c4nccnc4Cl)C[C@H]3C)nc(N3CCOCC3)n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.39
PIK3CA P42336 7/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAP3K12 Q12852 1/20 0.38
DGAT1 O75907 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
KDR P35968 1/20 0.36
SYK P43405 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3884807 0.94 MTOR (0.39) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3877815 0.94 MTOR (0.40) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL13761564 0.94 MTOR (0.40) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3881049 0.94 MTOR (0.40) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3879422 0.93 MTOR (0.41) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3885507 0.93 DGAT1 (0.38) KDM4ETDP1MAP3K12DGAT1TRPV1
SCHEMBL3877679 0.91 MTOR (0.39) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3877699 0.91 MTOR (0.39) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3879448 0.91 MTOR (0.40) MTORPIK3CAKDM4ELMNATDP1
SCHEMBL3877119 0.91 TRPV1 (0.49) MTORPIK3CAKDM4ELMNATDP1

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.