SCHEMBL2911545

SCHEMBL2911545

COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c3c2-c2ccccc2C3=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 11/20 0.56
▸ PIK3CA P42336 11/20 0.56
▸ PIK3CB P42338 11/20 0.56
▸ PIK3CG P48736 11/20 0.56
▸ PIK3R2 O00459 10/20 0.56
▸ PIK3R5 Q8WYR1 10/20 0.56
▸ PIK3R3 Q92569 10/20 0.56
▸ KCNH2 Q12809 2/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ UGCG Q16739 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
SCHEMBL2918319 0.84 HIF1A (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2918314 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2911808 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2917527 0.80 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2917544 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL21636263 0.77 PIK3CG (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13212975 0.74 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2920772 0.74 MGLL (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13637533 0.74 MGLL (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2916253 0.74 MGLL (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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 7 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
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 PIK3CD 2770/4885PIK3CA 2762/4885PIK3CB 2862/4885

“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.

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