SCHEMBL5265946

SCHEMBL5265946

COc1ccc(-n2nc(C(=O)N3CCCOCC3)cc2-c2cscn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
PIK3CD O00329 1/20 0.44
PIK3R2 O00459 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3R5 Q8WYR1 1/20 0.44
PIK3R3 Q92569 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MGLL Q99685 1/20 0.42
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
SMPD1 P17405 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL5267108 0.97 PTGS2 (0.48) PTGS2MEN1MAPTKMT2APIK3CD
SCHEMBL5270942 0.87 PTGS2 (0.41) PTGS2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5266165 0.87 MGLL (0.45) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2916162 0.85 PTGS2 (0.48) PTGS2MEN1MAPTKMT2APIK3CD
SCHEMBL5266199 0.84 MGLL (0.42) PTGS2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL5274536 0.83 PTGS2 (0.43) PTGS2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5270373 0.83 PTGS2 (0.50) PTGS2MEN1MAPTKMT2APIK3CD
SCHEMBL2918775 0.82 PTGS2 (0.52) PTGS2MEN1MAPTKMT2APIK3CD
SCHEMBL5266169 0.82 PTGS2 (0.49) PTGS2MEN1MAPTKMT2APIK3CD
SCHEMBL5271858 0.82 PTGS2 (0.49) PTGS2MEN1MAPTKMT2APIK3CD

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 PTGS2 4/4885MEN1 3587/4885MAPT 4006/4885

“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.