SCHEMBL2912074

SCHEMBL2912074

CCOc1ccnc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn2-c2ccc(OC)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.44
PTGS2 P35354 2/20 0.41
GPR119 Q8TDV5 4/20 0.40
TBK1 Q9UHD2 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
WNT3A P56704 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL2910716 0.90 PTGS2 (0.42) CFTRPTGS2ALDH1A1HPGDTSHR
SCHEMBL13637531 0.88 CFTR (0.46) CFTRGPR119TBK1TDP1MAPT
SCHEMBL2910906 0.86 CFTR (0.45) CFTRGPR119TBK1TDP1MAPT
SCHEMBL2910500 0.86 CFTR (0.45) CFTRGPR119TBK1TDP1MAPT
SCHEMBL2912277 0.86 CFTR (0.47) CFTRGPR119TDP1MGLLPOLB
SCHEMBL2910138 0.85 GPR119 (0.49) CFTRPTGS2GPR119TDP1
SCHEMBL2921251 0.83 MGLL (0.45) CFTRPTGS2MGLLNOS1NOS2
SCHEMBL2915275 0.81 MGLL (0.49) CFTRPTGS2GPR119MGLL
SCHEMBL2918775 0.81 PTGS2 (0.52) PTGS2MAPTMEN1KMT2ANPSR1
SCHEMBL2920392 0.80 MGLL (0.42) CFTRPTGS2MGLL

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
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-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 CFTR 1992/4885PTGS2 2/4885GPR119 1490/4885

“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.