SCHEMBL4988955

SCHEMBL4988955

Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 1.00
MTOR P42345 15/20 1.00
PIK3R1 P27986 3/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PIK3CD O00329 2/20 0.55
PIK3CG P48736 2/20 0.55
RICTOR Q6R327 2/20 0.50
RPTOR Q8N122 2/20 0.50
MAPKAP1 Q9BPZ7 2/20 0.50
MLST8 Q9BVC4 2/20 0.50
CFTR P13569 1/20 0.49

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
SCHEMBL3986325 0.89 MTOR (1.00) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL3992072 0.83 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL3989565 0.82 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL10143799 0.82 PIK3CA (0.76) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL3986815 0.80 PIK3CA (0.75) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4991670 0.80 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4996533 0.79 PIK3CA (0.86) PIK3CAMTORPIK3R1
SCHEMBL3991968 0.79 PIK3CA (0.82) PIK3CAMTORPIK3R1
SCHEMBL3992571 0.79 MTOR (0.75) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL3988528 0.79 PIK3CA (0.77) PIK3CAMTORALDH1A1HPGDHSD17B10

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885PIK3R1 60/4885

“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.