SCHEMBL16379671

SCHEMBL16379671

Bn1cc2c(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ESR2 Q92731 1/20 0.51
NR1H2 P55055 3/20 0.50
PDK2 Q15119 2/20 0.44
MAPK1 P28482 1/20 0.44
ADORA1 P30542 1/20 0.39
C5AR1 P21730 1/20 0.39
GRAMD1A Q96CP6 1/20 0.39
NAMPT P43490 1/20 0.39
F12 P00748 1/20 0.39
HPGDS O60760 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HDAC1 Q13547 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17327921 0.90 ESR2 (0.51) MAPTESR2NR1H2MAPK1ADORA1
SCHEMBL16217165 0.85 MAPT (0.54) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL16220604 0.84 MAPT (0.53) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL29383213 0.81 MAPT (0.50) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL16210543 0.81 MAPT (0.50) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL1879943 0.80 MAPT (0.49) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL7989242 0.80 HTT (0.51) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL12540737 0.79 GRM1 (0.53) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL1016779 0.79 MAPT (0.48) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL25447282 0.78 MAPT (0.47) MAPTESR2NR1H2PDK2MAPK1

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-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 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 (2 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-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A MAPT 3633/4885ESR2 2152/4885NR1H2 869/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A MAPT 3633/4885ESR2 2152/4885NR1H2 869/4885

“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.