SCHEMBL3063382

SCHEMBL3063382

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CCC(N2C(=O)COC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.34
PTK6 Q13882 8/20 0.34
LCK P06239 4/20 0.34
AURKB Q96GD4 3/20 0.34
PROKR1 Q8TCW9 1/20 0.34
OXTR P30559 4/20 0.33
PIK3CA P42336 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
SCHEMBL3063347 0.90 PROKR1 (0.35) PIK3CDPTK6LCKAURKBPROKR1
SCHEMBL3063636 0.88 PROKR1 (0.34) PIK3CDPTK6LCKAURKBPROKR1
SCHEMBL13100601 0.88 PIK3CD (0.34) PIK3CDPTK6LCKAURKBOXTR
SCHEMBL3063721 0.88 PIK3CD (0.37) PIK3CDPTK6LCKAURKBPROKR1
SCHEMBL3067492 0.86 OXTR (0.33) OXTR
SCHEMBL13090305 0.85 PIK3CD (0.48) PIK3CDPTK6LCKAURKBPROKR1
SCHEMBL3071123 0.85 PIK3CD (0.36) PIK3CDPTK6LCKAURKBPROKR1
SCHEMBL3063989 0.85 PTK6 (0.34) PIK3CDPTK6LCKAURKBPROKR1
SCHEMBL3074543 0.84 OXTR (0.33) OXTR
SCHEMBL3069090 0.84 PTK6 (0.36) PIK3CDPTK6LCKAURKBPROKR1

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
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US claimed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 PIK3CD 1237/4885PTK6 4192/4885LCK 4362/4885

“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.