SCHEMBL2074792

SCHEMBL2074792

CC(C)n1nc2c(c1OS(=O)(=O)C(F)(F)F)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.39
ADORA1 P30542 2/20 0.37
F12 P00748 1/20 0.37
MAPT P10636 2/20 0.36
GRAMD1A Q96CP6 1/20 0.35
ESR2 Q92731 1/20 0.35
NR1H2 P55055 1/20 0.34
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
GCK P35557 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAP3K5 Q99683 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL2076409 0.93 ADORA1 (0.35) C5AR1ADORA1F12MAPTGRAMD1A
SCHEMBL2075842 0.83 C5AR1 (0.47) C5AR1F12MAPTESR2
SCHEMBL2076531 0.83 C5AR1 (0.33) C5AR1ADORA1
SCHEMBL6027740 0.83 CXCR2 (0.32) ADORA1
SCHEMBL2075815 0.82 MAPT (0.32) MAPTGRAMD1A
SCHEMBL2074189 0.82 ADORA1 (0.34) C5AR1ADORA1DDB1CRBN
SCHEMBL2076338 0.81 ADORA1 (0.33) ADORA1MAPTDDB1CRBN
SCHEMBL18493654 0.80 MAPT (0.47) C5AR1MAPT
SCHEMBL2075276 0.79 NR1H2 (0.31) NR1H2
SCHEMBL25796716 0.79 C5AR1 (0.41) C5AR1ADORA1F12MAPTGRAMD1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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 (4 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B C5AR1 2550/4885ADORA1 862/4885F12 3605/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B C5AR1 2550/4885ADORA1 862/4885F12 3605/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B C5AR1 2550/4885ADORA1 862/4885F12 3605/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B C5AR1 2550/4885ADORA1 862/4885F12 3605/4885

“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.