SCHEMBL2918407

SCHEMBL2918407

COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccc(C)cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.41
SCN9A Q15858 1/20 0.40
NTRK1 P04629 1/20 0.37
GRM5 P41594 1/20 0.37
BRD4 O60885 1/20 0.36
KDM1A O60341 3/20 0.35
TACR3 P29371 1/20 0.35
PTGS2 P35354 4/20 0.35
MGLL Q99685 3/20 0.35
P2RX7 Q99572 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2913187 0.90 NTRK1 (0.40) CCKARSCN9ANTRK1GRM5BRD4
SCHEMBL5271769 0.89 GRM5 (0.43) CCKARNTRK1GRM5BRD4KDM1A
SCHEMBL2917701 0.89 NTRK1 (0.48) CCKARSCN9ANTRK1GRM5PTGS2
SCHEMBL5265920 0.89 SCN9A (0.41) CCKARSCN9ANTRK1PTGS2MGLL
SCHEMBL5266147 0.86 SCN9A (0.40) CCKARSCN9ANTRK1PTGS2MGLL
SCHEMBL5271665 0.86 NTRK1 (0.40) CCKARSCN9ANTRK1PTGS2MGLL
SCHEMBL5265846 0.85 SCN9A (0.39) CCKARSCN9ANTRK1PTGS2MGLL
SCHEMBL4986955 0.85 SCN9A (0.37) SCN9AGRM5BRD4TACR3P2RX7
SCHEMBL2918665 0.85 MGLL (0.48) CCKARSCN9ANTRK1PTGS2MGLL
SCHEMBL4925252 0.84 NTRK1 (0.43) CCKARNTRK1GRM5BRD4KDM1A

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 CCKAR 3267/4885SCN9A 3154/4885NTRK1 4844/4885

“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.