SCHEMBL2913187

SCHEMBL2913187

COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2cc(C)ccn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
SCN9A Q15858 2/20 0.40
CCKAR P32238 1/20 0.37
GRM5 P41594 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MGLL Q99685 4/20 0.35
JMJD6 Q6NYC1 1/20 0.35
P2RX7 Q99572 2/20 0.34
CFTR P13569 1/20 0.34
PTGS2 P35354 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
BRD4 O60885 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
SCHEMBL2917701 0.90 NTRK1 (0.48) NTRK1SCN9ACCKARGRM5ABL1
SCHEMBL2918407 0.90 CCKAR (0.41) NTRK1SCN9ACCKARGRM5MGLL
SCHEMBL5271665 0.90 NTRK1 (0.40) NTRK1SCN9ACCKARMGLLP2RX7
SCHEMBL5265920 0.89 SCN9A (0.41) NTRK1SCN9ACCKARMGLLP2RX7
SCHEMBL2911608 0.88 MGLL (0.46) CCKARABL1BCRMGLLCFTR
SCHEMBL5266147 0.86 SCN9A (0.40) NTRK1SCN9ACCKARMGLLP2RX7
SCHEMBL5265846 0.85 SCN9A (0.39) NTRK1SCN9ACCKARMGLLP2RX7
SCHEMBL2918665 0.85 MGLL (0.48) NTRK1SCN9ACCKARMGLLPTGS2
SCHEMBL5268727 0.84 SCN9A (0.40) NTRK1SCN9ACCKARMGLLPTGS2
SCHEMBL5270546 0.83 SCN9A (0.40) NTRK1SCN9ACCKARMGLLPTGS2

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 4844/4885SCN9A 3154/4885CCKAR 3267/4885

“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.