SCHEMBL16210219

SCHEMBL16210219

Cn1nc2c(c1C1CC1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.41
F12 P00748 1/20 0.41
MAPT P10636 3/20 0.40
ESR2 Q92731 1/20 0.40
ADORA1 P30542 2/20 0.40
NR1H2 P55055 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
THRB P10828 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TP53 P04637 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL15333088 0.82 C5AR1 (0.46) C5AR1F12MAPTESR2ADORA1
SCHEMBL31163741 0.81 C5AR1 (0.43) C5AR1F12MAPTESR2ADORA1
SCHEMBL31586458 0.81 C5AR1 (0.43) C5AR1F12MAPTESR2ADORA1
SCHEMBL16210129 0.78 DDB1 (0.41) C5AR1MAPTESR2ADORA1NR1H2
SCHEMBL26623021 0.77 C5AR1 (0.41) C5AR1F12MAPTESR2ADORA1
SCHEMBL22727600 0.77 C5AR1 (0.39) C5AR1F12MAPTESR2ADORA1
SCHEMBL16210205 0.76 MAPT (0.40) C5AR1F12MAPTESR2ADORA1
SCHEMBL31163742 0.75 C5AR1 (0.55) C5AR1F12MAPTESR2NR1H2
SCHEMBL31163760 0.74 ESR2 (0.46) C5AR1F12MAPTESR2ADORA1
SCHEMBL16220624 0.73 C5AR1 (0.46) C5AR1F12MAPTESR2ADORA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
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-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 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-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-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 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
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 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 (3 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A C5AR1 1628/4885F12 327/4885MAPT 3633/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A C5AR1 1628/4885F12 327/4885MAPT 3633/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A C5AR1 1628/4885F12 327/4885MAPT 3633/4885

“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.