SCHEMBL5266809

SCHEMBL5266809

COc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)cc2-c2ccccn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.45
NTRK1 P04629 3/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
EPHX2 P34913 1/20 0.39
SCD5 Q86SK9 1/20 0.39
RBP4 P02753 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
CCKAR P32238 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
SCHEMBL2921813 0.95 NTRK1 (0.51) MGLLNTRK1SCD5PIK3CDPIK3CA
SCHEMBL5271833 0.90 NTRK1 (0.48) NTRK1NPC1RAB9A
SCHEMBL5269913 0.89 MGLL (0.41) MGLLNTRK1NPC1RAB9APTGS2
SCHEMBL13637539 0.89 MALT1 (0.45) MGLLNPC1RAB9APTGS2PIK3CD
SCHEMBL5270015 0.89 NTRK1 (0.43) MGLLNTRK1PTGS2PTGS1EPHX2
SCHEMBL2915118 0.89 CFTR (0.47) MGLLPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2919855 0.88 MGLL (0.50) MGLLNTRK1PTGS2PIK3CDPIK3R2
SCHEMBL2919136 0.88 NTRK1 (0.45) MGLLNTRK1PTGS2PIK3CDPIK3R2
SCHEMBL2910146 0.88 CFTR (0.44) MGLLPTGS2PIK3CDPIK3R2PIK3CA
SCHEMBL2912233 0.87 PTGS2 (0.51) MGLLNPC1RAB9APTGS2PIK3CD

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 4 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
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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 MGLL 4176/4885NTRK1 4691/4885NPC1 4323/4885

“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.