SCHEMBL2917675

SCHEMBL2917675

COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)cc2-c2ccccn2)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.46
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
TACR3 P29371 5/20 0.37
SCN9A Q15858 1/20 0.37
CFTR P13569 1/20 0.37
GRM5 P41594 1/20 0.37
MGLL Q99685 3/20 0.36
PIM1 P11309 1/20 0.35
P2RX7 Q99572 2/20 0.35

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
SCHEMBL2919454 0.89 MGLL (0.46) NTRK1ABL1BCRTACR3CFTR
SCHEMBL2916107 0.89 NTRK1 (0.46) NTRK1ABL1BCRTACR3SCN9A
SCHEMBL2916964 0.88 MGLL (0.46) NTRK1TACR3SCN9AMGLL
Hydrochloric Acid SCHEMBL4247447 0.88 MGLL (0.46) NTRK1ABL1BCRTACR3CFTR
SCHEMBL2916813 0.87 P2RX7 (0.42) NTRK1TACR3SCN9AGRM5P2RX7
SCHEMBL2915785 0.87 ADORA2A (0.42) ABL1BCRTACR3CFTRMGLL
SCHEMBL2917701 0.87 NTRK1 (0.48) NTRK1ABL1BCRSCN9ACFTR
SCHEMBL2921117 0.87 PDE4B (0.39) NTRK1ABL1BCRTACR3CFTR
SCHEMBL2918205 0.86 CYP2C9 (0.41) ABL1BCRCFTRMGLL
SCHEMBL2918726 0.85 ABL1 (0.41) NTRK1ABL1BCRTACR3CFTR

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 4844/4885ABL1 2808/4885BCR 4861/4885

“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.