SCHEMBL916681

SCHEMBL916681

CC(=O)N1CC[C@H](Oc2cc(C3=NOC4(CCOC4)C3)ccc2OC(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PDE4D Q08499 13/20 0.38
PDE4B Q07343 6/20 0.38
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
TBK1 Q9UHD2 2/20 0.37
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 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
SCHEMBL916898 0.95 PDE4D (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPDE4D
SCHEMBL917973 0.95 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CTBK1
SCHEMBL3676661 0.93 PDE4D (0.37) PDE4DPDE4BPDE4APDE4CTBK1
SCHEMBL3680467 0.93 PDE4D (0.37) PDE4DPDE4BPDE4APDE4CTBK1
SCHEMBL4974075 0.91 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPDE4D
SCHEMBL917203 0.91 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPDE4D
SCHEMBL918060 0.91 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPDE4DPDE4B
SCHEMBL916207 0.90 PDE4D (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4D
SCHEMBL917070 0.90 PDE4D (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4D
SCHEMBL918194 0.90 PDE4D (0.39) PIK3CDPIK3CAPDE4DPDE4BPDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US claimed
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US disclosed
WO-2008035315-A9 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LAB LTD (IN) 2008-10-23 WO 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-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C PIK3CD 117/4885PIK3CA 112/4885PIK3CB 252/4885

“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.