SCHEMBL2919136

SCHEMBL2919136

COc1ccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)cc2-c2ccccn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.45
PIK3CD O00329 3/20 0.44
PIK3CA P42336 3/20 0.44
MGLL Q99685 7/20 0.44
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
CCKAR P32238 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CFTR P13569 2/20 0.41
PIK3R2 O00459 1/20 0.40
PIK3R5 Q8WYR1 1/20 0.40
PIK3R3 Q92569 1/20 0.40
PTGS2 P35354 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MALT1 Q9UDY8 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
SCHEMBL2919855 0.93 MGLL (0.50) NTRK1PIK3CDPIK3CAMGLLPIK3CB
SCHEMBL13637539 0.91 MALT1 (0.45) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
SCHEMBL2910146 0.91 CFTR (0.44) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
SCHEMBL2916423 0.90 CFTR (0.47) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
SCHEMBL2919221 0.90 MGLL (0.42) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL2917077 0.90 CFTR (0.45) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
SCHEMBL2912233 0.90 PTGS2 (0.51) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
SCHEMBL2915118 0.89 CFTR (0.47) PIK3CDPIK3CAMGLLPIK3CBPIK3CG
SCHEMBL2912277 0.89 CFTR (0.47) MGLLCCKARCFTR
SCHEMBL2910301 0.88 MGLL (0.41) NTRK1PIK3CDPIK3CAMGLLPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 NTRK1 4844/4885PIK3CD 2770/4885PIK3CA 2762/4885

“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.