SCHEMBL14294643

SCHEMBL14294643

CC1COCCN1c1cc(N2CCC(F)CC2)cc(N2CCN(c3ncc(C(=O)O)cc3C(F)(F)F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 16/20 0.41
▸ MTOR P42345 14/20 0.41
▸ RPTOR Q8N122 6/20 0.40
▸ MLST8 Q9BVC4 6/20 0.40
▸ PIK3R1 P27986 6/20 0.37
▸ RICTOR Q6R327 4/20 0.37
▸ MAPKAP1 Q9BPZ7 4/20 0.37
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ ATR Q13535 1/20 0.36

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
SCHEMBL14270945 1.00 PIK3CA (0.41) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL14270959 1.00 PIK3CA (0.41) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL14270958 0.81 CXCR3 (0.42) PIK3CAMTORATR
SCHEMBL14297604 0.81 CXCR3 (0.42) PIK3CAMTORATR
SCHEMBL14297600 0.75 ACACB (0.42) PIK3CAMTORATR
SCHEMBL14297592 0.75 ACACB (0.42) PIK3CAMTORATR
SCHEMBL14270935 0.75 ACACB (0.42) PIK3CAMTORATR
SCHEMBL14270931 0.75 ACACB (0.42) PIK3CAMTORATR
SCHEMBL3684029 0.74 KMT2A (0.46) —
SCHEMBL3947541 0.74 POLB (0.55) PIK3CAMTORRPTORMLST8PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 — — US 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-20080045525-A1 Piperazinyl-Pyridine Analogues PRLHR, GPR27, GPR68 PIK3CA 904/4885MTOR 1783/4885RPTOR 1795/4885

“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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