SCHEMBL2919124

SCHEMBL2919124

COc1ccc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2ccccn2)nn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.48
POLB P06746 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
USP30 Q70CQ3 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
MMP13 P45452 1/20 0.39
TACR3 P29371 1/20 0.38
MGLL Q99685 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
SCHEMBL2919454 0.89 MGLL (0.46) CFTRABL1BCRTACR3MGLL
SCHEMBL2915785 0.89 ADORA2A (0.42) CFTRPOLBABL1BCRTACR3
SCHEMBL5265669 0.89 CFTR (0.39) CFTRPOLBGPR119USP30ABL1
Hydrochloric Acid SCHEMBL4247447 0.88 MGLL (0.46) CFTRABL1BCRTACR3MGLL
SCHEMBL2918205 0.88 CYP2C9 (0.41) CFTRPOLBABL1BCRMGLL
SCHEMBL2918726 0.87 ABL1 (0.41) CFTRABL1BCRTACR3MGLL
SCHEMBL2921476 0.87 CFTR (0.45) CFTRABL1BCRTACR3MGLL
SCHEMBL2912277 0.87 CFTR (0.47) CFTRPOLBGPR119USP30MGLL
SCHEMBL2919430 0.86 MGLL (0.46) GRM5MGLL
SCHEMBL2917706 0.86 PTGS2 (0.45) CFTRABL1BCRTACR3MGLL

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 1992/4885POLB 3329/4885GPR119 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.