SCHEMBL5265846

SCHEMBL5265846

COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cscn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
NTRK1 P04629 1/20 0.37
P2RX7 Q99572 5/20 0.36
PTGS2 P35354 5/20 0.35
MGLL Q99685 3/20 0.35
CCKAR P32238 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 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
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5266165 0.89 MGLL (0.45) PTGS2MGLLCCKARMALT1PIK3CD
SCHEMBL5265920 0.88 SCN9A (0.41) SCN9ANTRK1P2RX7PTGS2MGLL
SCHEMBL2917701 0.86 NTRK1 (0.48) SCN9ANTRK1PTGS2MGLLCCKAR
SCHEMBL2913187 0.85 NTRK1 (0.40) SCN9ANTRK1P2RX7PTGS2MGLL
SCHEMBL2918407 0.85 CCKAR (0.41) SCN9ANTRK1P2RX7PTGS2MGLL
SCHEMBL5266147 0.85 SCN9A (0.40) SCN9ANTRK1P2RX7PTGS2MGLL
SCHEMBL5271665 0.85 NTRK1 (0.40) SCN9ANTRK1P2RX7PTGS2MGLL
SCHEMBL2918665 0.84 MGLL (0.48) SCN9ANTRK1PTGS2MGLLCCKAR
SCHEMBL5267108 0.84 PTGS2 (0.48) PTGS2MGLLPIK3CDPIK3R2PIK3CA
SCHEMBL5266199 0.83 MGLL (0.42) SCN9APTGS2MGLLMALT1PIK3CD

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 SCN9A 1956/4885NTRK1 4691/4885P2RX7 126/4885

“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.