SCHEMBL5455381

SCHEMBL5455381

COC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2ccccn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MGLL Q99685 3/20 0.36
NTRK1 P04629 3/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
KDM1A O60341 1/20 0.33
RPA1 P27694 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
SCHEMBL5268929 0.92 MGLL (0.38) MGLLNTRK1HCRTR1HCRTR2PIK3CA
SCHEMBL5265982 0.81 SCD5 (0.43) MGLLNTRK1
SCHEMBL5266809 0.80 MGLL (0.45) MGLLNTRK1PIK3CAPIK3CDPIK3R2
SCHEMBL2919121 0.80 HCRTR1 (0.40) MGLLNTRK1HCRTR1HCRTR2PIK3CA
SCHEMBL14529765 0.80 PDE4B (0.37) MGLLNTRK1KDM1A
SCHEMBL2921813 0.79 NTRK1 (0.51) MGLLNTRK1PIK3CAPIK3CDKDM1A
SCHEMBL2916328 0.79 BRD4 (0.41) MGLLNTRK1HCRTR1HCRTR2PIK3CA
SCHEMBL2918390 0.79 NTRK1 (0.46) MGLLNTRK1
SCHEMBL2918346 0.78 CFTR (0.42) MGLLNTRK1HCRTR1HCRTR2KDM1A
SCHEMBL2918250 0.78 RPA1 (0.52) NTRK1RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ADORA2A 472/4885ADORA1 127/4885MGLL 4176/4885

“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.